SCHEMBL1163376

SCHEMBL1163376

Cc1ccc(C(N)=O)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.56
TSHR P16473 2/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MTOR P42345 4/20 0.49
ALDH1A1 P00352 2/20 0.49
PARP1 P09874 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
APOBEC3A P31941 1/20 0.44
HTT P42858 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL482111 0.83 CHRNA1 (0.50) TSHRSMN1; SMN2ALDH1A1PARP1APOBEC3A
Hydrochloric Acid SCHEMBL8796442 0.82 CHRNA1 (0.49) TSHRSMN1; SMN2ALDH1A1PARP1APOBEC3A
SCHEMBL154862 0.81 HPGD (0.58) HPGDTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL29935432 0.81 HPGD (0.58) HPGDTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL407154 0.81 RAB9A (0.67) HPGDTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL29503140 0.80 PRSS1 (0.61) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27557037 0.80 PARP1 (0.54) TSHRSMN1; SMN2ALDH1A1PARP1KMT2A
SCHEMBL1002832 0.80 PRSS1 (0.61) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29477006 0.79 HPGD (0.56) HPGDTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL1708334 0.79 HPGD (0.56) HPGDTSHRNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
JP-2007523865-A 2007-08-23 JP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US claimed
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 US claimed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 WO claimed
US-20230165251-A1 SUBSTITUTED TOLYL FUNGICIDES AND THEIR MIXTURES FMC CORPORATION 2023-06-01 US disclosed
US-20230165251-A1 SUBSTITUTED TOLYL FUNGICIDES AND THEIR MIXTURES FMC CORPORATION 2023-06-01 US disclosed
WO-2022066917-A1 3-(6-AMINOPYRIDIN-3-YL)BENZAMIDE DERIVATIVES AS RIPK2 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-31 WO disclosed
WO-2021226234-A1 SUBSTITUTED TOLYL FUNGICIDES AND THEIR MIXTURES FMC CORPORATION (US) 2021-11-11 WO disclosed
WO-2021038419-A1 KINASE INHIBITORS AND METHODS OF SYNTHESIS AND TREATMENT INSILICO MEDICINE IP LIMITED (CN) 2021-03-04 WO disclosed
US-20030144329-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. (US) 2003-07-31 US disclosed
US-20030105333-A1 RXR activating molecules MAXIA PHARMACEUTICALS, INC. 2003-06-05 US disclosed
WO-2003043998-A1 N-SUBSTITUTED HETEROCYCLES FOR THE TREATMENT OF HYPERCHOLESTEREMIA, DYSLIPIDEMIA AND OTHER METABOLIC DISORDERS, CANCER, AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2003-05-30 WO disclosed
US-20030083357-A1 Oxime derivatives for the treatment of dyslipidemia and hypercholesteremia ORTHO MCNEIL PHARMACEUTICAL INC. 2003-05-01 US disclosed
WO-2003016267-A1 OXIME DERIVATIVES FOR THE TREATMENT OF DYSLIPIDEMIA AND HYPERCHOLESTEREMIA INCYTE SAN DIEGO INCORPORATED (US) 2003-02-27 WO disclosed
WO-2002072543-A2 RXR ACTIVATING MOLECULES MAXIA PHARMACEUTICALS, INC. (US) 2002-09-19 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 (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-20030105333-A1 RXR activating molecules RXRG, RXRB, RXRA HPGD 1662/4885TSHR 52/4885NPC1 1657/4885
US-20030144329-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases CYP27A1, CYP46A1, PNLIP HPGD 335/4885TSHR 1454/4885NPC1 12/4885
US-20030083357-A1 Oxime derivatives for the treatment of dyslipidemia and hypercholesteremia OAT, CPT1A, CYP27A1 HPGD 524/4885TSHR 974/4885NPC1 143/4885
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I TRPV1, OPRL1, TRPV6 HPGD 2532/4885TSHR 397/4885NPC1 1062/4885
US-20230165251-A1 SUBSTITUTED TOLYL FUNGICIDES AND THEIR MIXTURES NAT1, TH, Q6ZSR9 HPGD 4405/4885TSHR 918/4885NPC1 961/4885

“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.