SCHEMBL5858063

SCHEMBL5858063

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.43
SENP7 Q9BQF6 3/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
KMT2A Q03164 8/20 0.42
RAB9A P51151 7/20 0.42
NPC1 O15118 5/20 0.42
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 3/20 0.37
ATM Q13315 1/20 0.37
MAOB P27338 1/20 0.37
AURKB Q96GD4 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 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
SCHEMBL3942267 1.00 CASP3 (0.43) CASP3SENP7SENP8SENP6KMT2A
SCHEMBL3932991 0.93 CASP3 (0.42) CASP3SENP7SENP8SENP6KMT2A
SCHEMBL5856895 0.93 CASP3 (0.42) CASP3SENP7SENP8SENP6KMT2A
SCHEMBL3942106 0.91 RAB9A (0.43) CASP3SENP7SENP8SENP6KMT2A
SCHEMBL5858414 0.91 RAB9A (0.43) CASP3SENP7SENP8SENP6KMT2A
SCHEMBL3940650 0.90 BACE1 (0.36) SMN1; SMN2MAPTAURKB
SCHEMBL5857886 0.90 BACE1 (0.36) SMN1; SMN2MAPTAURKB
SCHEMBL3938904 0.90 RAB9A (0.43) CASP3SENP7SENP8SENP6KMT2A
SCHEMBL3938905 0.90 RAB9A (0.43) CASP3SENP7SENP8SENP6KMT2A
SCHEMBL3938168 0.88 RAB9A (0.40) CASP3SENP7KMT2ARAB9ANPC1

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 CASP3 848/4885SENP7 2132/4885SENP8 2681/4885

“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.