SCHEMBL3935519

SCHEMBL3935519

COC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(N(C)C(=O)CN(C)C)cc1)c1ccc2c(c1)OCCO2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
MAPT P10636 5/20 0.40
NPC1 O15118 9/20 0.39
RAB9A P51151 9/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
LMNA P02545 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 2/20 0.39
USP2 O75604 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 1/20 0.37
HPGD P15428 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL3935514 1.00 GAA (0.44) GAAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3933669 0.95 MAPT (0.47) GAAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3933665 0.95 MAPT (0.47) GAAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3943009 0.90 RAB9A (0.49) GAAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3943005 0.90 RAB9A (0.49) GAAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3943971 0.90 AAK1 (0.34) GAANPC1RAB9ASMN1; SMN2CASP3
SCHEMBL3943965 0.90 AAK1 (0.34) GAANPC1RAB9ASMN1; SMN2CASP3
SCHEMBL5858422 0.89 MAOB (0.39) GAAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3937027 0.89 MAOB (0.39) GAAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3939763 0.88 ALDH1A1 (0.40) GAAMAPTNPC1RAB9ASMN1; SMN2

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
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
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 GAA 4014/4885MAPT 1798/4885NPC1 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.