SCHEMBL2062891

SCHEMBL2062891

COc1ccc(N)cc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
CYP19A1 P11511 2/20 0.55
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
KDM4E B2RXH2 3/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
MAOB P27338 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAOA P21397 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ABCB1 P08183 1/20 0.51

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
SCHEMBL2748971 0.93 KDM4E (0.60) CYP19A1HTR1AADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL15487723 0.92 KDM4E (0.63) CYP19A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL5659691 0.90 MAOB (0.58) CYP19A1MAPK1HTR1AGAAMAPT
SCHEMBL5503430 0.89 SMPD1 (0.50) SMPD1HDAC1HDAC8HDAC6CYP19A1
Hydrochloric Acid SCHEMBL11596441 0.88 GAA (0.56) CYP19A1MAPK1KDM4EGAAMAPT
SCHEMBL7007168 0.86 HTR1A (0.47) SMPD1HDAC1HDAC8HDAC6CYP19A1
SCHEMBL15814937 0.84 CYP19A1 (0.50) SMPD1HDAC1HDAC8HDAC6CYP19A1
SCHEMBL5704614 0.84 SIGMAR1 (0.59) RAB9A
SCHEMBL1157301 0.83 PDE4A (0.56) CYP19A1
SCHEMBL2742565 0.83 KDM4E (0.68) MAPK1HSD17B10KDM4ESMN1; SMN2ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111732584-B Diaryl substituted fused heterocycle compound and preparation method and application thereof in pharmacy 复旦大学 2024-02-27 CN disclosed
US-20230115176-A1 Complement Modulators and Related Methods RA PHARMACEUTICALS, INC. 2023-04-13 US disclosed
EP-3947352-A1 COMPLEMENT MODULATORS AND RELATED METHODS RA Pharmaceuticals, Inc. (US) 2022-02-09 EP disclosed
WO-2020205501-A1 COMPLEMENT MODULATORS AND RELATED METHODS RA PHARMACEUTICALS, INC. (US) 2020-10-08 WO disclosed
CN-111732584-A Diaryl substituted fused heterocyclic compound, preparation method thereof and application thereof in pharmacy 复旦大学 2020-10-02 CN disclosed
CN-106536509-B Novel compounds as dual inhibitors of histone methyltransferase and DNA methyltransferase 基础应用医学研究基金会 2020-06-09 CN disclosed
EP-3154957-B1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF HISTONE METHYLTRANSFERASES AND DNA METHYLTRANSFERASES FUNDACION PARA LA INVESTIG MEDICA APLICADA (ES) 2019-11-20 EP disclosed
US-20190127354-A1 2,4,6,7-TETRASUBSTITUTED QUINOLINE COMPOUNDS AS INHIBITORS OF DNA METHYLTRANSFERASES FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2019-05-02 US disclosed
EP-3421038-A1 NAPHTHYRIDINE COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF Nanjing Natinefy Pharmatech Co., Ltd. (CN) 2019-01-02 EP disclosed
WO-2018229139-A1 NOVEL COMPOUNDS FOR USE IN CANCER FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2018-12-20 WO disclosed
US-20060199838-A1 Substituted N-aryl benzamides and related compounds for treatment of amyloid diseases and synucleinopathies PROTAMED, INC. 2006-09-07 US disclosed
US-7087626-B2 Pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-08-08 US disclosed
WO-2005113489-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTEOTECH, INC. (US) 2005-12-01 WO disclosed
US-20050154028-A1 Cyclic urea derivatives with 5-ht2c receptor activity GLAXO GROUP LIMITED (GB) 2005-07-14 US disclosed
EP-1465630-A1 CYCLIC UREA DERIVATIVES WITH 5-HT2C RECEPTOR ACTIVITY GLAXO GROUP LIMITED (GB) 2004-10-13 EP disclosed
US-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY 2004-06-03 US disclosed
EP-1397364-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-03-17 EP disclosed
WO-2003057220-A1 CYCLIC UREA DERIVATIVES WITH 5-HT2C RECEPTOR ACTIVITY GLAXO GROUP LIMITED (GB) 2003-07-17 WO disclosed
WO-2002094833-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2002-11-28 WO disclosed
US-4169093-A 2-Amino-5-phenylmethoxy-6-methoxybenzothiazole hydrochloride MORTON-NORWICH PRODUCTS, INC. (US) 1979-09-25 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 (5 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-20230115176-A1 Complement Modulators and Related Methods C5, C9, C1QBP SMPD1 300/4885HDAC1 2943/4885HDAC8 3160/4885
US-20050154028-A1 Cyclic urea derivatives with 5-ht2c receptor activity HTR2C, HTR3C, HTR5A SMPD1 4882/4885HDAC1 1045/4885HDAC8 1370/4885
US-20060199838-A1 Substituted N-aryl benzamides and related compounds for treatment of amyloid diseases and synucleinopathies IAPP, SNCA, BACE2 SMPD1 477/4885HDAC1 2950/4885HDAC8 2373/4885
US-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents TGFBR1, SMAD3, TGFBR2 SMPD1 2393/4885HDAC1 375/4885HDAC8 724/4885
US-20190127354-A1 2,4,6,7-TETRASUBSTITUTED QUINOLINE COMPOUNDS AS INHIBITORS OF DNA METHYLTRANSFERASES DNMT3B, DNMT1, DNMT3A SMPD1 3826/4885HDAC1 73/4885HDAC8 807/4885

“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.