SCHEMBL3938265

SCHEMBL3938265

CN(C(=O)C(C)(C)N)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc3c(c2)ncn3C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.43
RAB9A P51151 9/20 0.43
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
NAMPT P43490 1/20 0.34
GFER P55789 2/20 0.33
KMT2A Q03164 2/20 0.32
PRNP P04156 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
PLK1 P53350 2/20 0.32
MAPK1 P28482 1/20 0.31
NOTUM Q6P988 1/20 0.31
DDB1 Q16531 1/20 0.31

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
SCHEMBL3939197 0.88 NPC1 (0.48) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL5858496 0.87 NPC1 (0.43) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL3938269 0.87 NPC1 (0.43) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL5859779 0.87 RAB9A (0.36) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL227304 0.86 KDR (0.36) NPC1RAB9ASMN1; SMN2PLK1NOTUM
SCHEMBL3933828 0.84 GPR55 (0.36) NPC1RAB9AKMT2AHTTMEN1
SCHEMBL3943046 0.84 NPC1 (0.33) NPC1PLK1NOTUM
SCHEMBL3933103 0.84 NPC1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4506120 0.83 LRRK2 (0.42) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL3934655 0.83 NPC1 (0.44) NPC1RAB9ATP53SMN1; SMN2ALDH1A1

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 3 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
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

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 3709/4885TP53 398/4885

“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.