SCHEMBL8024180

SCHEMBL8024180

Cc1nccc2ccoc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.48
ASIC3 Q9UHC3 1/20 0.47
TRPA1 O75762 1/20 0.42
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL8276162 0.79 MAOA (0.43) CYP2A6ASIC3TRPA1CYP1A2CYP3A4
SCHEMBL16533015 0.76 ASIC3 (0.39) CYP2A6ASIC3TRPA1CYP1A2CYP3A4
SCHEMBL658129 0.74 ASIC3 (0.41) CYP2A6ASIC3TRPA1CYP3A4MAPT
SCHEMBL30812428 0.73 TRPA1 (0.42) CYP2A6ASIC3TRPA1MAOAMAOB
SCHEMBL658524 0.73 NOS3 (0.43) ASIC3TRPA1MAOAMAOBHTR2A
SCHEMBL30491673 0.73 NOS3 (0.43) ASIC3TRPA1MAOAMAOBHTR2A
SCHEMBL5582897 0.73 TRPA1 (0.42) CYP2A6ASIC3TRPA1MAOAMAOB
SCHEMBL20719886 0.73 ASIC3 (0.40) CYP2A6ASIC3TRPA1MAOAMAOB
SCHEMBL13138494 0.72 ASIC3 (0.41) CYP2A6ASIC3TRPA1CYP3A4MAOA
SCHEMBL18238920 0.72 ASIC3 (0.41) CYP2A6ASIC3TRPA1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192738-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-06-22 US disclosed
WO-2021147974-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-07-29 WO disclosed
US-20180179181-A1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2018-06-28 US disclosed
US-9845309-B2 Protein kinase C inhibitors and methods of their use NOVARTIS AG (CH) 2017-12-19 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-20160347737-A1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2016-12-01 US disclosed
US-9452998-B2 Protein kinase C inhibitors and methods of their use NOVARTIS AG (CH) 2016-09-27 US disclosed
WO-2016115463-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-07-21 WO disclosed
US-20160046605-A1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2016-02-18 US disclosed
US-9018209-B2 Compounds and methods for the treatment of viruses and cancer YALE UNIVERSITY (US) 2015-04-28 US disclosed
US-20100331317-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-30 US disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
WO-2009094279-A1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-07-30 WO disclosed
US-20080132516-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-06-05 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 WO 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 (9 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-20070197551-A1 Pyrimidine derivatives HTR3B, HTR3A, HTR1A CYP2A6 2409/4885ASIC3 287/4885TRPA1 122/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT CYP2A6 2675/4885ASIC3 876/4885TRPA1 4597/4885
US-20160046605-A1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE PRKCA, PRKCB, PRKCH CYP2A6 3008/4885ASIC3 4024/4885TRPA1 4717/4885
US-20160347737-A1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE PRKCA, PRKCB, PRKCH CYP2A6 3008/4885ASIC3 4024/4885TRPA1 4717/4885
US-20180179181-A1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE PRKCA, PRKCB, PRKCH CYP2A6 3008/4885ASIC3 4024/4885TRPA1 4717/4885
US-20230192738-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OPRM1, OPRD1, OXER1 CYP2A6 2845/4885ASIC3 2886/4885TRPA1 720/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 CYP2A6 1511/4885ASIC3 2683/4885TRPA1 73/4885
US-20100331317-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION KCNA5, KCNA1, KCNAB1 CYP2A6 417/4885ASIC3 542/4885TRPA1 156/4885
US-20080132516-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES IDO2, IDO1, INMT CYP2A6 554/4885ASIC3 4300/4885TRPA1 2768/4885

“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.