SCHEMBL1787475

SCHEMBL1787475

Nc1nccc(CSc2ncccc2C(=O)Nc2ccc3c(c2)CCC3)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.46
RAB9A P51151 10/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
TP53 P04637 4/20 0.46
HTT P42858 4/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
MAPT P10636 1/20 0.46
KDR P35968 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PKM P14618 1/20 0.42
STAT1 P42224 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL1787988 0.88 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL1787499 0.86 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL1786383 0.85 KDR (0.51) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL1939962 0.84 KDR (0.52) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL1786885 0.84 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HTTMAPT
Hydrochloric Acid SCHEMBL1941447 0.83 KDR (0.52) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL1786747 0.82 KDR (0.66) NPC1RAB9ASMN1; SMN2MAPTKDR
SCHEMBL1786652 0.82 KDR (0.45) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL4019297 0.82 KDR (0.67) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL1783816 0.82 KDR (0.46) NPC1RAB9ASMN1; SMN2TP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1864977-B1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2015-07-29 EP disclosed
US-8507485-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-13 US disclosed
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-7906511-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group SATEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
EP-1864977-A1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP 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-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group AGTR1, AGTR2, ARRB1 NPC1 1451/4885RAB9A 2641/4885SMN1; SMN2 4691/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 NPC1 1069/4885RAB9A 3160/4885SMN1; SMN2 1761/4885

“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.