SCHEMBL4500813

SCHEMBL4500813

CN(C)Cc1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccc(CNS(=O)(=O)Cc3ccccc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.39
BACE1 P56817 1/20 0.38
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
CASP3 P42574 2/20 0.36
ALKBH5 Q6P6C2 2/20 0.36
BRD4 O60885 1/20 0.36
KMT2A Q03164 3/20 0.36
NAMPT P43490 1/20 0.35
LIMK2 P53671 1/20 0.35
ROCK2 O75116 2/20 0.35
MAPT P10636 1/20 0.35
CTNNB1 P35222 1/20 0.34
TCF7L2 Q9NQB0 1/20 0.34

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
SCHEMBL4500818 1.00 OPRK1 (0.39) OPRK1BACE1MAOAMAOBCASP3
SCHEMBL4505765 0.93 MAOA (0.38) BACE1MAOAMAOBCASP3ALKBH5
SCHEMBL4505768 0.93 MAOA (0.38) BACE1MAOAMAOBCASP3ALKBH5
SCHEMBL4493143 0.90 BACE1 (0.37) BACE1MAOAMAOBCASP3BRD4
SCHEMBL4493148 0.90 BACE1 (0.37) BACE1MAOAMAOBCASP3BRD4
SCHEMBL4504089 0.89 BACE1 (0.43) BACE1MAOAMAOBCASP3BRD4
SCHEMBL4504092 0.89 BACE1 (0.43) BACE1MAOAMAOBCASP3BRD4
SCHEMBL4477010 0.88 ROCK2 (0.40) BACE1MAOAMAOBCASP3ALKBH5
SCHEMBL4477014 0.88 ROCK2 (0.40) BACE1MAOAMAOBCASP3ALKBH5
SCHEMBL228496 0.86 ALDH1A1 (0.44) BACE1MAOBCASP3KMT2ANAMPT

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-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR OPRK1 423/4885BACE1 1615/4885MAOA 822/4885

“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.