SCHEMBL4496696

SCHEMBL4496696

CCC(=O)N(CCN(C)C)c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.36
CES1 P23141 1/20 0.34
MAPT P10636 4/20 0.34
GAA P10253 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
UTS2R Q9UKP6 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LRRK2 Q5S007 1/20 0.33
PLK1 P53350 1/20 0.33
MCHR1 Q99705 2/20 0.33
CYP19A1 P11511 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCL1 Q07820 1/20 0.33
MAPK8 P45983 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
SCHEMBL4496690 1.00 LIMK1 (0.36) LIMK1CES1MAPTGAAALDH1A1
SCHEMBL4501665 0.93 TP53 (0.40) LIMK1CES1MAPTGAAALDH1A1
SCHEMBL4501664 0.93 TP53 (0.40) LIMK1CES1MAPTGAAALDH1A1
SCHEMBL4488264 0.92 KDM4E (0.36) LIMK1CES1MAPTGAAALDH1A1
SCHEMBL4488268 0.92 KDM4E (0.36) LIMK1CES1MAPTGAAALDH1A1
SCHEMBL4491553 0.91 LIMK1 (0.37) LIMK1MAPTALDH1A1NPSR1RXFP1
SCHEMBL4491548 0.91 LIMK1 (0.37) LIMK1MAPTALDH1A1NPSR1RXFP1
SCHEMBL4491348 0.91 LIMK1 (0.37) LIMK1ALDH1A1RXFP1UTS2RKDM4E
SCHEMBL4491350 0.91 LIMK1 (0.37) LIMK1ALDH1A1RXFP1UTS2RKDM4E
SCHEMBL4486121 0.91 TMEM97 (0.43) MCHR1

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 LIMK1 312/4885CES1 2176/4885MAPT 545/4885

“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.