SCHEMBL656848

SCHEMBL656848

COc1ccc(N)c(OC)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
NNMT P40261 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
PLAU P00749 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
BRD9 Q9H8M2 1/20 0.38
BRD7 Q9NPI1 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
PDE10A Q9Y233 2/20 0.37
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL30054640 1.00 POLB (0.50) POLBTDP1NNMTSIRT2SIRT1
Hydrochloric Acid SCHEMBL930533 0.98 POLB (0.48) POLBTDP1NNMTSIRT2SIRT1
SCHEMBL25000973 0.82 PDE10A (0.40) POLBTDP1NNMTSIRT2SIRT1
SCHEMBL21582525 0.82 MAPT (0.39) POLBTDP1F2F10PRSS1
SCHEMBL29830254 0.81 POLB (0.35) POLBTDP1F2F10PRSS1
SCHEMBL25001074 0.81 POLB (0.39) POLBTDP1NNMTSIRT2SIRT1
SCHEMBL23620230 0.81 POLB (0.35) POLBTDP1F2F10PRSS1
SCHEMBL30168387 0.81 POLB (0.39) POLBTDP1NNMTSIRT2SIRT1
SCHEMBL29948393 0.80 IDO1 (0.36) POLBTDP1RAB9ANPC1CYP1A2
SCHEMBL156162 0.80 IDO1 (0.36) POLBTDP1RAB9ANPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109134267-B Synthetic method of aromatic amine compound 北京大学 2020-11-17 CN claimed
CN-109134267-A A kind of synthetic method of aromatic amine compounds 北京大学 2019-01-04 CN claimed
CN-105949174-B Carbazole sulfonamide derivative or its pharmaceutical salts and its preparation method and application 中国医学科学院医药生物技术研究所 2018-12-21 CN claimed
CN-107325057-A A kind of preparation method of the dimethoxypyridin of sulfanilamide (SN) 2,6 吴赣药业(苏州)有限公司 2017-11-07 CN claimed
CN-105949174-A Carbazole sulfonamide derivatives or pharmaceutical salts thereof as well as preparation method and application of carbazole sulfonamide derivatives or pharmaceutical salts thereof 中国医学科学院医药生物技术研究所 2016-09-21 CN claimed
EP-2321316-B1 SUBSTITUTED PYRIMIDIN-4-ONE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2014-03-12 EP claimed
EP-1844020-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS Exelixis, Inc. (US) 2007-10-17 EP claimed
WO-2007024744-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS, INC. (US) 2007-03-01 WO claimed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
WO-1999048868-A2 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN, INC. (US) 1999-09-30 WO claimed
EP-0863877-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INST (US) 1999-07-21 EP claimed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US claimed
CN-1202888-A Isoquinoline derivatives and isoquinoline combinatorial libraries TORREY PINES INST (US) 1998-12-23 CN claimed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP claimed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO claimed
EP-0527186-A4 UNIV ILLINOIS (US) 1995-01-18 EP claimed
EP-0527186-A1 PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS The Board of Trustees for the University of Illinois (US) 1993-02-17 EP claimed
US-5180399-A Kits for dyeing hair L'OREAL (FR) 1993-01-19 US claimed
WO-1991016820-A1 PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1991-11-14 WO claimed

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

For each of this compound's patents that has machine-readable text (1 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-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 POLB 3619/4885TDP1 2846/4885NNMT 1406/4885

“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.