SCHEMBL1854243

SCHEMBL1854243

CCCCC(=O)Nc1nccs1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.71
CYP2C9 P11712 1/20 0.71
LMNA P02545 4/20 0.63
L3MBTL1 Q9Y468 1/20 0.62
ALDH1A1 P00352 2/20 0.62
USP2 O75604 1/20 0.60
MAPK1 P28482 1/20 0.60
NPC1 O15118 1/20 0.60
ADRB2 P07550 1/20 0.60
RAB9A P51151 1/20 0.60
CYP2C19 P33261 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL2656868 0.95 ADORA2A (0.66) ADORA2ACYP2C9LMNAL3MBTL1ALDH1A1
SCHEMBL17817590 0.94 ADORA2A (0.64) ADORA2ACYP2C9LMNAL3MBTL1ALDH1A1
SCHEMBL7142997 0.94 ADORA2A (0.64) ADORA2ACYP2C9LMNAL3MBTL1ALDH1A1
SCHEMBL4112093 0.90 ADORA2A (0.70) ADORA2ACYP2C9LMNAL3MBTL1ALDH1A1
SCHEMBL15480444 0.90 ALDH1A1 (0.68) LMNAALDH1A1USP2MAPK1NPC1
SCHEMBL15480445 0.88 ALDH1A1 (0.67) LMNAALDH1A1USP2MAPK1NPC1
SCHEMBL15480447 0.88 ALDH1A1 (0.67) LMNAALDH1A1USP2MAPK1NPC1
SCHEMBL15480448 0.88 ALDH1A1 (0.67) LMNAALDH1A1USP2MAPK1NPC1
SCHEMBL15480450 0.88 ALDH1A1 (0.67) LMNAALDH1A1USP2MAPK1NPC1
SCHEMBL13681851 0.85 CYP2C9 (0.56) ADORA2ACYP2C9LMNAALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091947-A2 GLUCOKINASE ACTIVATORS Takeda San Diego, Inc. (US) 2009-08-26 EP claimed
EP-2001875-A2 GLUCOKINASE ACTIVATORS Takeda San Diego, Inc. (US) 2008-12-17 EP claimed
WO-2008079787-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2008-07-03 WO claimed
WO-2007104034-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-09-13 WO claimed
US-RE49594-E1 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2023-08-01 US disclosed
US-11535630-B2 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2022-12-27 US disclosed
EP-2484342-A1 Hair resiliency / body improver and hair cosmetic Shiseido Company, Limited (JP) 2012-08-08 EP disclosed
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO disclosed
US-20090233975-A1 Hair resiliency/body improver and hair cosmetic SHISEIDO COMPANY, LTD. (JP) 2009-09-17 US disclosed
EP-2091947-A2 GLUCOKINASE ACTIVATORS Takeda San Diego, Inc. (US) 2009-08-26 EP disclosed
EP-2001875-A2 GLUCOKINASE ACTIVATORS Takeda San Diego, Inc. (US) 2008-12-17 EP disclosed
WO-2008079787-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2008-07-03 WO disclosed
EP-1911750-A1 AGENT FOR IMPROVEMENT IN BOUNCE/BODY OF HAIR, AND HAIR COSMETIC Shiseido Company, Limited (JP) 2008-04-16 EP disclosed
WO-2007104034-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-09-13 WO disclosed
EP-1590337-A1 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME AS BETA-AMYLOID PEPTIDE PRODUCTION INHIBITORS Sanofi-Aventis (FR) 2005-11-02 EP disclosed
WO-2004067520-A1 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME AS BETA-AMYLOID PEPTIDE PRODUCTION INHIBITORS SANOFI-AVENTIS (FR) 2004-08-12 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 (2 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-20090233975-A1 Hair resiliency/body improver and hair cosmetic MC1R, PNISR, HCRTR1 ADORA2A 644/4885CYP2C9 837/4885LMNA 1747/4885
US-11535630-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP ADORA2A 201/4885CYP2C9 4709/4885LMNA 2587/4885

“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.