SCHEMBL196368

SCHEMBL196368

O=C(CO)Nc1cc[c]cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.38
CYP1A1 P04798 1/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
XBP1 P17861 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NOD2 Q9HC29 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
PTPN1 P18031 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL2352584 0.84 MEN1 (0.56) MEN1KMT2APOLBALDH1A1TP53
SCHEMBL7648767 0.81 MEN1 (0.45) MEN1KMT2APOLBEPHX2ALDH1A1
SCHEMBL7653980 0.81 MEN1 (0.41) MEN1KMT2APOLBEPHX2ALDH1A1
SCHEMBL1356630 0.81 CA1 (0.55) MEN1KMT2APOLBL3MBTL1
SCHEMBL7648257 0.81 MEN1 (0.41) MEN1KMT2APOLBEPHX2ALDH1A1
SCHEMBL6966256 0.81 MEN1 (0.50) MEN1KMT2APOLBL3MBTL1MAPT
SCHEMBL98001 0.81 GAA (0.56) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL7197831 0.81 NPC1 (0.58) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL2894890 0.80 MEN1 (0.46) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL7649864 0.79 TP53 (0.44) POLBTP53CYP1A1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116234546-A GPX4 inhibitors, pharmaceutical compositions thereof and their use in the treatment of GPX4 mediated diseases 嘉兴优博生物技术有限公司 2023-06-06 CN claimed
WO-2021183702-A1 GPX4 INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING GPX4-MEDIATED DISEASES EUBULUS BIOTHERAPEUTICS INC. (CN) 2021-09-16 WO claimed
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP claimed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US claimed
US-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-07-10 US claimed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US claimed
JP-2012500216-A 2012-01-05 JP claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US claimed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US claimed
EP-2318006-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 Pharmaceuticals, LLC (US) 2011-05-11 EP claimed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US claimed
WO-2010019903-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS, LLC (US) 2010-02-18 WO claimed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP claimed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO claimed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US claimed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed
WO-2023241620-A1 BIOLOGICALLY ACTIVE COMPOUNDS AND METHODS THEREOF SUZHOU KEEN THERAPEUTICS CO., LTD. (CN) 2023-12-21 WO disclosed
WO-2023134708-A1 THIAZOLOPYRIDYL AMIDE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS BEIGENE , LTD. (KY) 2023-07-20 WO disclosed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO disclosed
US-4056544-A Anthraquinone compounds BAYER AKTIENGESELLSCHAFT (DT) 1977-11-01 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-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 MEN1 1002/4885KMT2A 1137/4885POLB 641/4885
US-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR MEN1 4582/4885KMT2A 3634/4885POLB 1032/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 MEN1 1002/4885KMT2A 1137/4885POLB 641/4885
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR MEN1 4582/4885KMT2A 3634/4885POLB 1032/4885
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP MEN1 2912/4885KMT2A 4285/4885POLB 141/4885

“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.