SCHEMBL4493143

SCHEMBL4493143

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.37
CASP3 P42574 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
BRD4 O60885 2/20 0.36
KMT2A Q03164 2/20 0.35
LSS P48449 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
CTNNB1 P35222 1/20 0.35
TCF7L2 Q9NQB0 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ROCK2 O75116 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
NAMPT P43490 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL4493148 1.00 BACE1 (0.37) BACE1CASP3MAOAMAOBBRD4
SCHEMBL4505765 0.92 MAOA (0.38) BACE1CASP3MAOAMAOBBRD4
SCHEMBL4505768 0.92 MAOA (0.38) BACE1CASP3MAOAMAOBBRD4
SCHEMBL4497985 0.92 ROCK2 (0.40) BACE1CASP3MAOAMAOBBRD4
SCHEMBL4497979 0.92 ROCK2 (0.40) BACE1CASP3MAOAMAOBBRD4
SCHEMBL4500813 0.90 OPRK1 (0.39) BACE1CASP3MAOAMAOBBRD4
SCHEMBL4500818 0.90 OPRK1 (0.39) BACE1CASP3MAOAMAOBBRD4
SCHEMBL4504249 0.90 LSS (0.44) KMT2ALSSTRPV1ALDH1A1ROCK2
SCHEMBL4504245 0.90 LSS (0.44) KMT2ALSSTRPV1ALDH1A1ROCK2
SCHEMBL226482 0.87 LSS (0.41) BACE1KMT2ALSSCTNNB1TCF7L2

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 BACE1 1615/4885CASP3 1148/4885MAOA 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.