SCHEMBL56541

SCHEMBL56541

O=[N+]([O-])c1cc(Cl)c(Cl)nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 3/20 0.42
GPR35 Q9HC97 2/20 0.41
ALDH1A1 P00352 4/20 0.40
VCAM1 P19320 4/20 0.40
CYP3A4 P08684 1/20 0.40
PGK1 P00558 1/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
PKM P14618 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSP90AA1 P07900 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL29757749 1.00 TSHR (0.45) TSHRMAPK1TDP1GPR35ALDH1A1
SCHEMBL20265347 0.83 TSHR (0.42) TSHRMAPK1TDP1GPR35ALDH1A1
SCHEMBL456768 0.82 ALDH1A1 (0.44) TSHRMAPK1TDP1GPR35ALDH1A1
SCHEMBL7585436 0.81 VCAM1 (0.41) TSHRMAPK1TDP1GPR35ALDH1A1
SCHEMBL30242608 0.79 CYP1A2 (0.44) TSHRMAPK1TDP1GPR35ALDH1A1
SCHEMBL26094505 0.79 KEAP1 (0.44) TSHRMAPK1TDP1GPR35ALDH1A1
SCHEMBL1625327 0.79 CYP1A2 (0.44) TSHRMAPK1TDP1GPR35ALDH1A1
SCHEMBL22596350 0.77 MERTK (0.43) TSHRMAPK1TDP1ALDH1A1CYP3A4
SCHEMBL29757772 0.77 MERTK (0.43) TSHRMAPK1TDP1ALDH1A1CYP3A4
SCHEMBL9686971 0.76 TSHR (0.47) TSHRMAPK1TDP1GPR35ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767320-B2 Bicyclic dione compounds as inhibitors of KRAS INCYTE CORPORATION (US) 2023-09-26 US disclosed
CN-113166103-B EGFR inhibitor and application thereof 江苏先声药业有限公司 2022-12-16 CN disclosed
CN-114728932-A Polyarylates as EGFR kinase inhibitors 江苏先声药业有限公司 2022-07-08 CN disclosed
WO-2022072783-A1 BICYCLIC DIONE COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORPORATION (US) 2022-04-07 WO disclosed
US-20220106309-A1 BICYCLIC DIONE COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORPORATION 2022-04-07 US disclosed
CN-113166103-A EGFR inhibitor and application thereof 江苏先声药业有限公司 2021-07-23 CN disclosed
WO-2021104441-A1 POLYAROMATIC COMPOUND AS EGFR KINASE INHIBITOR 江苏先声药业有限公司 2021-06-03 WO disclosed
WO-2020216371-A1 EGFR INHIBITOR AND APPLICATION THEREOF 江苏先声药业有限公司 2020-10-29 WO disclosed
WO-2020216371-A1 EGFR INHIBITOR AND APPLICATION THEREOF 江苏先声药业有限公司 2020-10-29 WO disclosed
US-10442808-B2 Pyrazolo pyrimidine derivatives and their use as MALT1 inhbitors NOVARTIS AG (CH) 2019-10-15 US disclosed
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PFIZER PHARMACEUTICALS INC. (JP) 2002-06-20 US disclosed
WO-2002032900-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed
WO-2002032422-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed
US-5811432-A Azaoxindole derivatives PFIZER INC (US) 1998-09-22 US disclosed
CN-1031053-C Azaoxindole derivatives PFIZER (US) 1996-02-21 CN disclosed
CN-1053065-A AZAOXINDOLE DERIVATIVES PFIZER (US) 1991-07-17 CN disclosed
WO-1991009598-A1 AZAOXINDOLE DERIVATIVES PFIZER INC. (US) 1991-07-11 WO disclosed
EP-0436333-A2 Azaoxindole derivatives PFIZER INC. (US) 1991-07-10 EP disclosed
US-4521603-A Continuous process for the production of polybromopyridine compounds OLIN CORPORATION (US) 1985-06-04 US disclosed
US-3974166-A FUNGICIDE CIBA-GEIGY CORPORATION (US) 1976-08-10 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 (4 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-11767320-B2 Bicyclic dione compounds as inhibitors of KRAS KRAS, NRAS, HRAS TSHR 4625/4885MAPK1 296/4885TDP1 2025/4885
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PTGER4, PTGER1, PTGER2 TSHR 351/4885MAPK1 1556/4885TDP1 3985/4885
US-20220106309-A1 BICYCLIC DIONE COMPOUNDS AS INHIBITORS OF KRAS KRAS, NRAS, HRAS TSHR 4625/4885MAPK1 296/4885TDP1 2025/4885
US-10442808-B2 Pyrazolo pyrimidine derivatives and their use as MALT1 inhbitors FBP1, MMEL1, MALT1 TSHR 4836/4885MAPK1 476/4885TDP1 358/4885

“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.