SCHEMBL3937048

SCHEMBL3937048

CN(C)CCN(c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccc3c(c2)OCCO3)cc1)S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAOB P27338 1/20 0.39
MAPK1 P28482 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL3937043 1.00 NPC1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2MAOB
SCHEMBL5858182 0.92 BRD4 (0.35) NPC1RAB9AALDH1A1SMN1; SMN2MAOB
SCHEMBL3939948 0.92 BRD4 (0.35) NPC1RAB9AALDH1A1SMN1; SMN2MAOB
SCHEMBL3940673 0.92 BRD4 (0.40) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL5857461 0.92 BRD4 (0.40) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL3936038 0.91 ALDH1A1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2MAOB
SCHEMBL3934926 0.91 ALDH1A1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2MAOB
SCHEMBL3935073 0.90 NPC1 (0.42) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL3935070 0.90 NPC1 (0.42) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL5857103 0.90 NPC1 (0.32) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1

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 claimed
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 claimed
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 claimed
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 3709/4885ALDH1A1 2387/4885

“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.