SCHEMBL4492182

SCHEMBL4492182

CC(=O)N(CCN(C)C)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.38
POLB P06746 1/20 0.38
CASP3 P42574 2/20 0.37
CASP2 P42575 1/20 0.37
CASP7 P55210 1/20 0.37
CASP6 P55212 1/20 0.37
CASP8 Q14790 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
RAB9A P51151 2/20 0.36
GFER P55789 1/20 0.36
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 5/20 0.35
NPC1 O15118 2/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL4492186 1.00 HTT (0.38) HTTPOLBCASP3CASP2CASP7
SCHEMBL226588 0.92 LIMK1 (0.39) POLBRAB9AMAPTNPC1KMT2A
SCHEMBL226587 0.92 LIMK1 (0.39) POLBRAB9AMAPTNPC1KMT2A
SCHEMBL4494848 0.90 MAPT (0.38) L3MBTL1RAB9AALDH1A1SMN1; SMN2NPSR1
SCHEMBL3935258 0.90 MAPT (0.38) L3MBTL1RAB9AALDH1A1SMN1; SMN2NPSR1
SCHEMBL3935261 0.90 MAPT (0.38) L3MBTL1RAB9AALDH1A1SMN1; SMN2NPSR1
SCHEMBL4492731 0.90 LRRK2 (0.42) POLBALDH1A1SMN1; SMN2NPSR1MAPT
SCHEMBL4492738 0.90 LRRK2 (0.42) POLBALDH1A1SMN1; SMN2NPSR1MAPT
SCHEMBL4483954 0.89 LIMK1 (0.36) POLBMAPTNPC1KMT2AMEN1
SCHEMBL4483948 0.89 LIMK1 (0.36) POLBMAPTNPC1KMT2AMEN1

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 HTT 3112/4885POLB 4146/4885CASP3 1148/4885

“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.