SCHEMBL67864

SCHEMBL67864

O=[N+]([O-])c1ccc(Cl)cc1CCl

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.60
TSHR P16473 2/20 0.60
ALDH1A1 P00352 4/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
POLB P06746 3/20 0.54
MAPT P10636 2/20 0.54
NOS3 P29474 1/20 0.49
NOS1 P29475 1/20 0.49
NOS2 P35228 1/20 0.49
LMNA P02545 1/20 0.47
VCAM1 P19320 1/20 0.47
PDE7A Q13946 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PKM P14618 1/20 0.43
PDE7B Q9NP56 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2949639 0.85 TSHR (0.60) MAPK1TSHRALDH1A1KMT2AMEN1
SCHEMBL27273104 0.85 MAPK1 (0.60) MAPK1TSHRALDH1A1KMT2AMEN1
SCHEMBL67686 0.85 ALDH1A1 (0.58) MAPK1TSHRALDH1A1KMT2AMEN1
SCHEMBL20362277 0.84 TSHR (0.46) MAPK1TSHRALDH1A1KMT2AMEN1
SCHEMBL6377973 0.83 MAPK1 (0.58) MAPK1TSHRALDH1A1KMT2AMEN1
SCHEMBL9191570 0.83 MAPK1 (0.58) MAPK1TSHRALDH1A1KMT2AMEN1
SCHEMBL68713 0.83 TSHR (0.58) MAPK1TSHRALDH1A1KMT2AMEN1
SCHEMBL899743 0.83 TSHR (0.58) MAPK1TSHRALDH1A1KMT2AMEN1
SCHEMBL68181 0.83 TSHR (0.58) MAPK1TSHRALDH1A1KMT2AMEN1
SCHEMBL28960511 0.81 TSHR (0.56) MAPK1TSHRALDH1A1KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260132137-A1 SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1-[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYSTALLINE FORMS THEREOF HOFFMANN LA ROCHE INC (US) 2026-05-14 US disclosed
US-12459947-B2 Synthesis of trans-8-chloro-5-methyl-1 -[4-(pyridin-2-yloxy)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10B-tetraaza-benzo[e]azulene and crystalline forms thereof HOFFMANN-LA ROCHE INC. (US) 2025-11-04 US disclosed
US-20210284648-A1 SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1 -[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYTALLINE FORMS THEREOF HOFFMANN-LA ROCHE INC. (US) 2021-09-16 US disclosed
US-11040977-B2 Synthesis of trans-8-chloro-5-methyl-1-[4-(pyridin-2-yloxy)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10B-tetraaza-benzo[e]azulene and crytalline forms thereof HOFFMANN-LA ROCHE INC. (US) 2021-06-22 US disclosed
EP-3077396-B1 SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1 -[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYTALLINE FORMS THEREOF HOFFMANN LA ROCHE (CH) 2021-04-21 EP disclosed
CN-105793263-B A kind of synthesis of benzo [E] Azulene compound and its crystal form 豪夫迈·罗氏有限公司 2019-08-23 CN disclosed
US-20190194210-A1 SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1 -[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYTALLINE FORMS THEREOF HOFFMANN-LA ROCHE INC. (US) 2019-06-27 US disclosed
US-10246460-B2 Synthesis of trans-8-chloro-5-methyl-1-[4-(pyridin-2-yloxy)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10B-tetraaza-benzo[E]azulene and crytalline forms thereof HOFFMANN-LA ROCHE INC. (US) 2019-04-02 US disclosed
EP-2621888-B1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE NOXELL CORP (US) 2018-09-12 EP disclosed
EP-2558467-B1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
US-20100125066-A1 ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 US disclosed
US-20100120751-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2010-05-13 US disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 WO disclosed
US-7651834-B2 Photosensitive compound, photosensitive composition, method for resist pattern formation, and process for device production CANON KABUSHIKI KAISHA (JP) 2010-01-26 US disclosed
US-20090311637-A1 BLOCK COPOLYMER AND SUBSTRATE PROCESSING METHOD CANON KABUSHIKI KAISHA (JP) 2009-12-17 US disclosed
US-20070287105-A1 PHOTOSENSITIVE COMPOUND, PHOTOSENSITIVE COMPOSITION, METHOD FOR RESIST PATTERN FORMATION, AND PROCESS FOR DEVICE PRODUCTION CANON KABUSHIKI KAISHA (JP) 2007-12-13 US disclosed
EP-1865379-A1 Photosensitive compound, photosensitive composition, method for resist pattern formation, and process for device prodution Canon Kabushiki Kaisha (JP) 2007-12-12 EP disclosed
CN-101086618-A Photosensitive compound, photosensitive composition, method for resist pattern formation, and process for elements production CANON KK (JP) 2007-12-12 CN disclosed
US-4668686-A 1,3-DIHYDRO-2H-IMIDAZO/4,5-B/QUINOLINE-2-ONES BRISTOL-MYERS COMPANY (US) 1987-05-26 US disclosed
US-4495101-A Antiinflammatory 5H-tetrazolo (5,1-c)(1,4)benzodiazepine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1985-01-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210284648-A1 SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1 -[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYTALLINE FORMS THEREOF CPNE4, CRYZ, CYP2A7 MAPK1 3427/4885TSHR 1131/4885ALDH1A1 1306/4885
US-20100120751-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES AVPR1A, OXTR, AVPR1B MAPK1 4474/4885TSHR 108/4885ALDH1A1 240/4885
US-20070287105-A1 PHOTOSENSITIVE COMPOUND, PHOTOSENSITIVE COMPOSITION, METHOD FOR RESIST PATTERN FORMATION, AND PROCESS FOR DEVICE PRODUCTION RER1, C1R, CRY2 MAPK1 576/4885TSHR 1221/4885ALDH1A1 2569/4885
US-20260132137-A1 SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1-[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYSTALLINE FORMS THEREOF YWHAQ, CCT8, CYP2C18 MAPK1 3130/4885TSHR 1929/4885ALDH1A1 4208/4885
US-20100125066-A1 ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES AVPR1A, AVPR1B, OXTR MAPK1 3788/4885TSHR 101/4885ALDH1A1 298/4885
US-11040977-B2 Synthesis of trans-8-chloro-5-methyl-1-[4-(pyridin-2-yloxy)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10B-tetraaza-benzo[e]azulene and crytalline forms thereof CPNE4, CRYZ, CYP2A7 MAPK1 3427/4885TSHR 1131/4885ALDH1A1 1306/4885
US-10246460-B2 Synthesis of trans-8-chloro-5-methyl-1-[4-(pyridin-2-yloxy)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10B-tetraaza-benzo[E]azulene and crytalline forms thereof CRYZ, CPNE4, CYP2A7 MAPK1 3272/4885TSHR 1091/4885ALDH1A1 1264/4885
US-20190194210-A1 SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1 -[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYTALLINE FORMS THEREOF CPNE4, CRYZ, CYP2A7 MAPK1 3427/4885TSHR 1131/4885ALDH1A1 1306/4885
US-12459947-B2 Synthesis of trans-8-chloro-5-methyl-1 -[4-(pyridin-2-yloxy)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10B-tetraaza-benzo[e]azulene and crystalline forms thereof NT5C, CYP8B1, AZI2 MAPK1 3711/4885TSHR 3361/4885ALDH1A1 473/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.