SCHEMBL3938864

SCHEMBL3938864

CN(C)CCC(=O)N(C)c1ccc(N/C(=C2\C(=O)Nc3cc(C#N)ccc32)c2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 8/20 0.37
RAB9A P51151 8/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
GAA P10253 3/20 0.36
MAPT P10636 4/20 0.36
USP2 O75604 2/20 0.36
MAOB P27338 2/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 3/20 0.34
VNN1 O95497 1/20 0.34

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
SCHEMBL3938878 1.00 ALDH1A1 (0.39) ALDH1A1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL3933257 0.95 RAB9A (0.40) ALDH1A1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL3933258 0.95 RAB9A (0.40) ALDH1A1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL3939763 0.93 ALDH1A1 (0.40) ALDH1A1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL3939766 0.93 ALDH1A1 (0.40) ALDH1A1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL3937167 0.89 ALDH1A1 (0.39) ALDH1A1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL3937166 0.89 ALDH1A1 (0.39) ALDH1A1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL3938170 0.89 RAB9A (0.40) ALDH1A1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL3938168 0.89 RAB9A (0.40) ALDH1A1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL3931888 0.89 MAOB (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2TRPV1

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 ALDH1A1 2387/4885PKM 303/4885NPC1 4723/4885

“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.