SCHEMBL11910000

SCHEMBL11910000

COc1c(C#N)csc1Br

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GPR35 Q9HC97 2/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
IMPDH2 P12268 1/20 0.32
IMPDH1 P20839 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CYP2A6 P11509 1/20 0.30

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
SCHEMBL22711505 0.80 NPC1 (0.37) NPC1RAB9AGPR35POLBGAA
SCHEMBL10614301 0.73
SCHEMBL29096981 0.72
SCHEMBL1164408 0.70 CYP2A6 (0.33) MAOAMAOBCYP2A6
SCHEMBL27838834 0.70 NPC1 (0.39) NPC1RAB9APOLBGAA
SCHEMBL2662645 0.70
SCHEMBL7961132 0.66 ALDH1A1 (0.48) POLBGAAKDM4EUSP2ALDH1A1
SCHEMBL21737529 0.65 NPC1 (0.36) NPC1RAB9APOLBGAA
SCHEMBL28193843 0.65 ALDH1A1 (0.40) GPR35POLBGAAKDM4EUSP2
SCHEMBL1119200 0.64 GPR35 (0.45) GPR35POLBGAAKDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2492262-B1 FUSED HETEROCYCLIC COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL IND LTD (JP) 2016-04-20 EP disclosed
US-8889732-B2 Fused heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-11-18 US disclosed
EP-2492262-A1 FUSED HETEROCYCLIC COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR Nissan Chemical Industries, Ltd. (JP) 2012-08-29 EP disclosed
US-20120209005-A1 FUSED HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-08-16 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 (1 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-20120209005-A1 FUSED HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS MPL, TEK, THPO NPC1 3553/4885RAB9A 2198/4885GPR35 603/4885

“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.