SCHEMBL4497412

SCHEMBL4497412

CNCCCN(C(C)=O)c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2cccc(CC(=O)O)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
LRRK2 Q5S007 1/20 0.31
PLK1 P53350 1/20 0.31
KDM4E B2RXH2 2/20 0.31
TMEM97 Q5BJF2 2/20 0.31
SIGMAR1 Q99720 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
SUCNR1 Q9BXA5 1/20 0.31
CFTR P13569 2/20 0.30
FFAR1 O14842 1/20 0.30
TP53 P04637 1/20 0.30
GLA P06280 1/20 0.30
HPSE Q9Y251 1/20 0.30

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
SCHEMBL4497409 1.00 NR1H4 (0.32) NR1H4RXFP1LRRK2PLK1KDM4E
SCHEMBL4505215 0.95 MCHR1 (0.33) NR1H4RXFP1LRRK2PLK1KDM4E
SCHEMBL4505219 0.95 MCHR1 (0.33) NR1H4RXFP1LRRK2PLK1KDM4E
SCHEMBL226733 0.93 PLK1 (0.35) RXFP1LRRK2PLK1TMEM97SIGMAR1
SCHEMBL226734 0.93 PLK1 (0.35) RXFP1LRRK2PLK1TMEM97SIGMAR1
SCHEMBL4487674 0.92 PLK1 (0.37) NR1H4RXFP1LRRK2PLK1KDM4E
SCHEMBL4487679 0.92 PLK1 (0.37) NR1H4RXFP1LRRK2PLK1KDM4E
SCHEMBL4492148 0.92 KDM4E (0.34) NR1H4LRRK2KDM4E
SCHEMBL4492150 0.92 KDM4E (0.34) NR1H4LRRK2KDM4E
SCHEMBL4502077 0.91 BACE1 (0.33) MEN1KMT2ACFTRFFAR1TP53

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 NR1H4 544/4885RXFP1 425/4885LRRK2 168/4885

“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.