SCHEMBL5856943

SCHEMBL5856943

CN(C)CCC(=O)N(C)c1ccc(NC(=C2C(=O)Nc3cc(Br)ccc32)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.43
NPC1 O15118 7/20 0.43
KMT2A Q03164 5/20 0.43
CASP3 P42574 3/20 0.43
SENP7 Q9BQF6 3/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.42
MITF O75030 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPK1 P28482 1/20 0.42
MCL1 Q07820 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
USP2 O75604 1/20 0.40
F2 P00734 1/20 0.40
P2RX4 Q99571 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL3935816 1.00 RAB9A (0.43) RAB9ANPC1KMT2ACASP3SENP7
SCHEMBL5858414 0.93 RAB9A (0.43) RAB9ANPC1KMT2ACASP3SENP7
SCHEMBL3942106 0.93 RAB9A (0.43) RAB9ANPC1KMT2ACASP3SENP7
SCHEMBL5856895 0.91 CASP3 (0.42) RAB9ANPC1KMT2ACASP3SENP7
SCHEMBL3932991 0.91 CASP3 (0.42) RAB9ANPC1KMT2ACASP3SENP7
SCHEMBL3935387 0.89 RAB9A (0.49) RAB9ANPC1KMT2ACASP3SENP7
SCHEMBL3935399 0.89 RAB9A (0.49) RAB9ANPC1KMT2ACASP3SENP7
SCHEMBL3933257 0.89 RAB9A (0.40) RAB9ANPC1KMT2ACASP3SENP7
SCHEMBL3933258 0.89 RAB9A (0.40) RAB9ANPC1KMT2ACASP3SENP7
SCHEMBL3937637 0.89 P2RX5 (0.42) RAB9ANPC1KMT2AMEN1MAPT

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 2 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 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.