SCHEMBL4496965

SCHEMBL4496965

CC(=O)NCCC(N)c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.37
CASR P41180 2/20 0.37
CNR1 P21554 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
F11 P03951 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 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
SCHEMBL4488163 0.95 LRRK2 (0.36) LRRK2CASRCNR1MTNR1AMTNR1B
SCHEMBL4495113 0.89 CES1 (0.36) LRRK2RXFP1MAPTKMT2AKDR
SCHEMBL479566 0.88 CASR (0.40) CASRMTNR1AMTNR1BRXFP1LMNA
SCHEMBL4499903 0.87 CES1 (0.33) LRRK2CASRRXFP1F11KDR
SCHEMBL4492225 0.87 F11 (0.36) RXFP1F11MEN1KMT2ACASP3
SCHEMBL2570154 0.86 CASR (0.44) CASRRXFP1IDO1TDO2MEN1
SCHEMBL4491671 0.86 CES1 (0.34) LRRK2RXFP1MAPTKMT2AKDR
SCHEMBL4505647 0.85 CNR1 (0.43) LRRK2CNR1MEN1LMNACYP1A2
SCHEMBL4480932 0.85 RXFP1 (0.36) LRRK2RXFP1KMT2AKDRKIT
SCHEMBL4505644 0.85 CNR1 (0.43) LRRK2CNR1MEN1LMNACYP1A2

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 LRRK2 168/4885CASR 1379/4885CNR1 487/4885

“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.