SCHEMBL5262284

SCHEMBL5262284

CC(Cc1cccc(Br)c1)NC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.56
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
PTGES O14684 1/20 0.53
LMNA P02545 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
CTSB P07858 2/20 0.46
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
CTSL P07711 1/20 0.46
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL27220740 1.00 SIGMAR1 (0.56) SIGMAR1NPC1RAB9APTGESLMNA
SCHEMBL24528878 0.88 ACACB (0.57) SIGMAR1NPC1RAB9APTGESLMNA
SCHEMBL27904487 0.88 ACACB (0.57) SIGMAR1NPC1RAB9APTGESLMNA
SCHEMBL29722827 0.88 ACACB (0.57) SIGMAR1NPC1RAB9APTGESLMNA
SCHEMBL11744503 0.86 SIGMAR1 (0.51) SIGMAR1NPC1RAB9APTGESLMNA
SCHEMBL2143263 0.83 NPC1 (0.56) NPC1RAB9ALMNATAAR1ALDH1A1
SCHEMBL2747345 0.83 NPC1 (0.56) NPC1RAB9ALMNATAAR1MAPT
SCHEMBL2747349 0.83 NPC1 (0.56) NPC1RAB9ALMNATAAR1MAPT
SCHEMBL5263402 0.82 SIGMAR1 (0.51) SIGMAR1NPC1RAB9APTGESCTSB
SCHEMBL6414189 0.82 SIGMAR1 (0.51) SIGMAR1NPC1RAB9APTGESCTSB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208932-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-06-27 US disclosed
EP-4371977-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-05-22 EP disclosed
US-9783500-B2 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2017-10-10 US disclosed
US-20160368877-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-22 US disclosed
EP-2119703-B1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-12-12 EP disclosed
EP-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 EP disclosed
US-20060247263-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-11-02 US disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 US disclosed
US-6927228-B2 Biphenyl compounds usefuf in treatment of human and veterinary medicines such as dermatology, cardivovascular diseases, immune diseases or diseases associated with lipid metabolisms, or in cosmetic formulation GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-08-09 US disclosed
US-20040039038-A1 Biaromatic compound activators of PPARy-type receptors GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-26 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-20240208932-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF GPER1, ESR1, ESRRA SIGMAR1 300/4885NPC1 572/4885RAB9A 2826/4885
US-20040039038-A1 Biaromatic compound activators of PPARy-type receptors PPARG, PPARA, PPARD SIGMAR1 2552/4885NPC1 1048/4885RAB9A 2019/4885
US-20160368877-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NOS2, NOS3, NOS1 SIGMAR1 864/4885NPC1 1883/4885RAB9A 2178/4885
US-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP SIGMAR1 3655/4885NPC1 3865/4885RAB9A 1750/4885
US-20060247263-A1 Substituted heterocyclic compounds and methods of use MAPT, IAPP, MYLK2 SIGMAR1 3737/4885NPC1 3224/4885RAB9A 1640/4885

“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.