SCHEMBL9891490

SCHEMBL9891490

CC(C)(C)c1nc2cc(Cl)ccc2s1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
LOXL2 Q9Y4K0 1/20 0.51
IDO1 P14902 1/20 0.51
PPARA Q07869 5/20 0.51
CASR P41180 4/20 0.50
HDAC6 Q9UBN7 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MGAM O43451 2/20 0.42
GAA P10253 2/20 0.42
SI P14410 2/20 0.42
MGAM2 Q2M2H8 2/20 0.42
ALOX5 P09917 1/20 0.40

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
SCHEMBL18853749 0.88 CASR (0.48) SMN1; SMN2NPSR1LOXL2IDO1PPARA
SCHEMBL799878 0.86 NPC1 (0.51) SMN1; SMN2PPARACASRNPC1RAB9A
SCHEMBL24962521 0.85 SMN1; SMN2 (0.51) SMN1; SMN2NPSR1LOXL2IDO1PPARA
SCHEMBL20312953 0.83 SMN1; SMN2 (0.50) SMN1; SMN2NPSR1LOXL2IDO1PPARA
Propionic Acid SCHEMBL10811452 0.82 PPARA (0.49) SMN1; SMN2NPSR1LOXL2IDO1PPARA
SCHEMBL7239065 0.80 CASR (0.49) SMN1; SMN2CASRNPC1RAB9AGAA
SCHEMBL2705399 0.80 CASR (0.44) CASRHDAC6
SCHEMBL2090627 0.79 CASR (0.37) SMN1; SMN2PPARACASRHDAC6NPC1
SCHEMBL21652203 0.79 CASR (0.38) SMN1; SMN2NPSR1CASRHDAC6NPC1
SCHEMBL21652286 0.79 PPARA (0.51) PPARACASRHDAC6NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11129814-B2 Antimicrobial agents TAXIS PHARMACEUTICALS, INC. (US) 2021-09-28 US disclosed
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof D. E. SHAW RESEARCH, LLC 2020-10-01 US disclosed
US-10544092-B2 Malononitrile oxime ether compound and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2020-01-28 US disclosed
US-20180179225-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-06-28 US disclosed
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INST MEDICAL RES (US) 2017-05-18 US disclosed
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INST MEDICAL RES (US) 2017-05-18 US disclosed
US-20160367531-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-12-22 US disclosed
US-9458150-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-10-04 US disclosed
US-9221841-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2015-12-29 US disclosed
US-20150307517-A1 ANTIMICROBIAL AGENTS TAXIS PHARMACEUTICALS, INC. (US) 2015-10-29 US disclosed
US-20140018399-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2014-01-16 US disclosed
US-8580828-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2013-11-12 US disclosed
US-20130109656-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. 2013-05-02 US disclosed
US-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed
US-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed
US-8268871-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-09-18 US disclosed
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-12-30 US disclosed
US-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-12-30 US disclosed
US-7795282-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-09-14 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 (11 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-20130109656-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 SMN1; SMN2 1336/4885NPSR1 4169/4885LOXL2 4456/4885
US-10544092-B2 Malononitrile oxime ether compound and use thereof ME1, MAL2, ME3 SMN1; SMN2 1799/4885NPSR1 4442/4885LOXL2 552/4885
US-11129814-B2 Antimicrobial agents MRPL21, SPOUT1, LSS SMN1; SMN2 4451/4885NPSR1 4074/4885LOXL2 3204/4885
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 SMN1; SMN2 4282/4885NPSR1 149/4885LOXL2 3109/4885
US-20160367531-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 SMN1; SMN2 2119/4885NPSR1 966/4885LOXL2 4435/4885
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof KRAS, NRAS, HRAS SMN1; SMN2 4018/4885NPSR1 2441/4885LOXL2 4245/4885
US-20150307517-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 SMN1; SMN2 2119/4885NPSR1 966/4885LOXL2 4435/4885
US-20140018399-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 SMN1; SMN2 1710/4885NPSR1 3444/4885LOXL2 4656/4885
US-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof KIF5B, KIF2C, KIFC1 SMN1; SMN2 1336/4885NPSR1 4169/4885LOXL2 4456/4885
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRM5 SMN1; SMN2 468/4885NPSR1 205/4885LOXL2 2934/4885
US-20180179225-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 SMN1; SMN2 2119/4885NPSR1 966/4885LOXL2 4435/4885

“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.