SCHEMBL1817017

SCHEMBL1817017

c1ccc(Oc2cc[nH]n2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
LMNA P02545 3/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
LTA4H P09960 1/20 0.36
PTGS2 P35354 1/20 0.36
PDE10A Q9Y233 1/20 0.36
METAP2 P50579 1/20 0.36
EHMT2 Q96KQ7 1/20 0.35
EHMT1 Q9H9B1 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
PIN1 Q13526 2/20 0.35

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
SCHEMBL31374417 0.98 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL409030 0.82 KDM4E (0.55) KDM4ELMNACCR1CCR5CCR8
Phosphine SCHEMBL17979775 0.80 KDM4E (0.53) KDM4ELMNACCR1CCR5CCR8
Hydrochloric Acid SCHEMBL28670387 0.80 KDM4E (0.53) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28077971 0.79 MEN1 (0.41) KDM4ELMNASMN1; SMN2NPC1ALDH1A1
Ethylene SCHEMBL27741856 0.78 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL8932281 0.74 GOT1 (0.31)
SCHEMBL12129562 0.74 KDM4E (0.58) KDM4ELMNACCR1CCR5CCR8
Formaldehyde SCHEMBL28375942 0.73
SCHEMBL207642 0.72 HAO1 (0.53) KDM4ECYP1A2LTA4HHTTSMN1; SMN2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119661509-A Pyridine oxazazole sulfur sulfone compound and preparation method and application thereof 湖南省农业科学院 2025-03-21 CN claimed
CN-119661509-A Pyridine oxazazole sulfur sulfone compound and preparation method and application thereof 湖南省农业科学院 2025-03-21 CN disclosed
CN-114867723-B Salt forms, crystal forms and pharmaceutical compositions of pyridyloxy-pyrazoles as TGF-beta R1 inhibitors 江苏奥赛康药业有限公司 2023-05-30 CN disclosed
CN-114867723-B Salt forms, crystal forms and pharmaceutical compositions of pyridyloxy-pyrazoles as TGF-beta R1 inhibitors 江苏奥赛康药业有限公司 2023-05-30 CN disclosed
CN-114867723-A Salt form, crystal form and pharmaceutical composition of pyridyloxy pyrazole compound serving as TGF-beta R1 inhibitor 江苏奥赛康药业有限公司 2022-08-05 CN disclosed
CN-114867723-A Salt form, crystal form and pharmaceutical composition of pyridyloxy pyrazole compound serving as TGF-beta R1 inhibitor 江苏奥赛康药业有限公司 2022-08-05 CN disclosed
WO-2022017208-A1 SALT FORM AND CRYSTAL FORM OF PYRIDYLOXY PYRAZOLE COMPOUND AS TGF-βR1 INHIBITOR, AND PHARMACEUTICAL COMPOSITION THEREOF 江苏奥赛康药业有限公司 2022-01-27 WO disclosed
US-9782407-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-10-10 US disclosed
EP-1848430-B1 NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-08-02 EP disclosed
EP-1981342-B1 SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS REDDYS LAB LTD DR (IN) 2016-11-30 EP disclosed
US-20150216866-A1 SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-08-06 US disclosed
US-9040558-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2015-05-26 US disclosed
CN-102197031-A Substituted 5-aminopyrazoles and use thereof BAYER SCHERING PHARMA AG 2011-09-21 CN disclosed
EP-2321296-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020366-A1 AZABICYCLIC SUBSTITUTED 5-AMINOPYRAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed
US-20060178514-A1 Novel benzylamine derivatives as CETP inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2006-08-10 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 (3 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-20150216866-A1 SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS CETP, NPC1, MTTP KDM4E 1933/4885LMNA 851/4885CCR1 3725/4885
US-20060178514-A1 Novel benzylamine derivatives as CETP inhibitors CETP, NPC1, LIPC KDM4E 1107/4885LMNA 344/4885CCR1 3881/4885
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT KDM4E 2516/4885LMNA 4322/4885CCR1 4041/4885

“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.