SCHEMBL3931883

SCHEMBL3931883

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.42
RAB9A P51151 7/20 0.39
NPC1 O15118 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
STAT1 P42224 1/20 0.39
GAA P10253 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
CTNNB1 P35222 2/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
WNT3A P56704 1/20 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
SCHEMBL3931888 1.00 MAOB (0.42) MAOBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3932991 0.95 CASP3 (0.42) MAOBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5856895 0.95 CASP3 (0.42) MAOBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5856923 0.90 BACE1 (0.35) SMN1; SMN2MAPTGAACASP3
SCHEMBL5856908 0.90 BACE1 (0.35) SMN1; SMN2MAPTGAACASP3
SCHEMBL3938878 0.89 ALDH1A1 (0.39) MAOBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5856820 0.89 MAPT (0.47) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5856835 0.89 MAPT (0.47) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL3938864 0.89 ALDH1A1 (0.39) MAOBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3939572 0.89 MAOB (0.40) MAOBRAB9ANPC1SMN1; SMN2MAPT

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 8 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
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 MAOB 628/4885RAB9A 3709/4885NPC1 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.