SCHEMBL4493504

SCHEMBL4493504

CN(C)CCN(C(=O)c1cccnc1)c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 3/20 0.44
HTT P42858 1/20 0.40
ALDH1A1 P00352 5/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.36
GFER P55789 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.35
PLK1 P53350 1/20 0.35
LIMK1 P53667 1/20 0.35
PDPK1 O15530 1/20 0.35
AKT2 P31751 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNMA1 Q12791 1/20 0.35
GRM5 P41594 1/20 0.34
MEN1 O00255 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
SCHEMBL4493501 1.00 TGM2 (0.44) TGM2HTTALDH1A1GAATSHR
SCHEMBL4492745 0.92 BACE1 (0.37) TGM2ALDH1A1MAPTNPSR1KDM4E
SCHEMBL4492743 0.92 BACE1 (0.37) TGM2ALDH1A1MAPTNPSR1KDM4E
SCHEMBL4491350 0.92 LIMK1 (0.37) ALDH1A1KDM4EHPGDPLK1LIMK1
SCHEMBL4491348 0.92 LIMK1 (0.37) ALDH1A1KDM4EHPGDPLK1LIMK1
SCHEMBL4495891 0.91 HTT (0.40) TGM2HTTALDH1A1GAATSHR
SCHEMBL4495890 0.91 HTT (0.40) TGM2HTTALDH1A1GAATSHR
SCHEMBL2563992 0.89 HTT (0.39) TGM2HTTALDH1A1GAATSHR
SCHEMBL2563990 0.89 HTT (0.39) TGM2HTTALDH1A1GAATSHR
SCHEMBL5858295 0.89 TGM2 (0.39) TGM2ALDH1A1MAPTNPSR1HPGD

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 TGM2 4379/4885HTT 3112/4885ALDH1A1 2036/4885

“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.