SCHEMBL201086

SCHEMBL201086

CC(C)Oc1cccc(C(N)=O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.68
PARP10 Q53GL7 2/20 0.65
TNKS O95271 1/20 0.59
PARP15 Q460N3 1/20 0.59
PARP14 Q460N5 1/20 0.59
TNKS2 Q9H2K2 1/20 0.59
PARP2 Q9UGN5 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
OPRK1 P41145 1/20 0.51
KAT6A Q92794 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50

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
SCHEMBL27608138 0.86 PARP1 (0.64) PARP1PARP10TNKSPARP15PARP14
SCHEMBL6322882 0.85 KMT2A (0.61) PARP10MEN1KMT2AGAAHTT
SCHEMBL8867012 0.84 MEN1 (0.53) PARP1PARP10MEN1KMT2AGAA
SCHEMBL11798200 0.83 KMT2A (0.64) PARP1PARP10MEN1KMT2AGAA
SCHEMBL104194 0.83 KMT2A (0.59) MEN1KMT2AGAAHTTRXRA
SCHEMBL592781 0.83 RXRA (0.68) MEN1KMT2AGAAHTTRXRA
SCHEMBL30184304 0.83 RXRA (0.68) MEN1KMT2AGAAHTTRXRA
SCHEMBL28222363 0.83 PARP1 (0.65) PARP1PARP10TNKSPARP15PARP14
SCHEMBL27999431 0.83 PARP1 (0.60) PARP1PARP10TNKSPARP15PARP14
SCHEMBL1167621 0.81 KMT2A (0.58) PARP1PARP10MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023057548-A1 CCR6 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-04-13 WO claimed
CN-111601790-B Heteroaryl compounds as protein kinase inhibitors 福建海西新药创制股份有限公司 2023-03-31 CN claimed
EP-3749646-B1 HETEROARYL COMPOUNDS AS KINASE INHIBITOR FUJIAN HAIXI PHARMACEUTICALS CO LTD (CN) 2022-04-06 EP claimed
EP-3386951-A1 PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS H. Hoffnabb-La Roche Ag (CH) 2018-10-17 EP claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
WO-2017097732-A1 PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-15 WO claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
CN-102008459-B Antibacterial agents BIOTA SCIENT MAN 2013-05-29 CN claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US claimed
EP-2188289-A2 (7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-PIPERAZINES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATION Lexicon Pharmaceuticals, Inc. (US) 2010-05-26 EP claimed
EP-1730122-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-12-13 EP claimed
US-7009052-B2 Sulfonamide derivatives WARNER LAMBERT COMPANY LLC (US) 2006-03-07 US claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
WO-2005095357-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-10-13 WO claimed
US-6949562-B2 Heterocyclic compounds as ligands of the GABAA receptor NEUROGEN CORPORATION (US) 2005-09-27 US claimed
US-20050004367-A1 Sulfonamide derivatives DU DANIEL Y (US) 2005-01-06 US claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
EP-1325006-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR NEUROGEN CORPORATION (US) 2003-07-09 EP claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 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 (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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 PARP1 4568/4885PARP10 4135/4885TNKS 4138/4885
US-20050004367-A1 Sulfonamide derivatives AR, SULT2A1, SHBG PARP1 3297/4885PARP10 836/4885TNKS 3580/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 PARP1 4568/4885PARP10 4135/4885TNKS 4138/4885

“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.