SCHEMBL3942887

SCHEMBL3942887

COC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(N(CCN(C)C)S(C)(=O)=O)cc1)c1ccc2scnc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 3/20 0.37
KMT2A Q03164 5/20 0.34
KDM4E B2RXH2 4/20 0.34
LMNA P02545 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NTRK1 P04629 3/20 0.33
NTRK2 Q16620 3/20 0.33
CASP1 P29466 1/20 0.33
MAPT P10636 2/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL3942880 1.00 NPC1 (0.37) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL3934934 0.94 NPC1 (0.41) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL3934929 0.94 NPC1 (0.41) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL3940705 0.88 NPC1 (0.35) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL3940709 0.88 NPC1 (0.35) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL3933005 0.88 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL5859365 0.88 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL3944440 0.88 NPC1 (0.37) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL3944445 0.88 NPC1 (0.37) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL3934638 0.87 KMT2A (0.35) NPC1RAB9ASMN1; SMN2KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551830-B1 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA (DE) 2009-04-08 EP disclosed
US-7148249-B2 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-12-12 US disclosed
EP-1551830-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-13 EP disclosed
US-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 US disclosed
WO-2004026829-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-01 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 (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-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments CDK1, CDK2, CDK3 NPC1 4723/4885RAB9A 3709/4885SMN1; SMN2 4299/4885

“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.