SCHEMBL3933113

SCHEMBL3933113

CN(C)Cc1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.44
NPC1 O15118 6/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
LSS P48449 1/20 0.39
CASP3 P42574 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
HPGD P15428 2/20 0.38
UTS2R Q9UKP6 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL3933105 1.00 RAB9A (0.44) RAB9ANPC1KMT2AMEN1NPSR1
SCHEMBL3934504 0.95 MAOB (0.44) RAB9ANPC1KMT2AMEN1NPSR1
SCHEMBL3934502 0.95 MAOB (0.44) RAB9ANPC1KMT2AMEN1NPSR1
SCHEMBL3936376 0.93 RAB9A (0.42) RAB9ANPC1KMT2AMEN1NPSR1
SCHEMBL3934076 0.93 RAB9A (0.42) RAB9ANPC1KMT2AMEN1NPSR1
SCHEMBL5858598 0.90 KMT2A (0.44) RAB9ANPC1KMT2AMEN1NPSR1
SCHEMBL3940055 0.90 KMT2A (0.44) RAB9ANPC1KMT2AMEN1NPSR1
SCHEMBL3933024 0.90 CASP3 (0.44) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL5856869 0.90 CASP3 (0.44) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL3942797 0.89 RAB9A (0.48) RAB9ANPC1KMT2AMEN1SMN1; 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
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 RAB9A 3709/4885NPC1 4723/4885KMT2A 1839/4885

“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.