SCHEMBL4501607

SCHEMBL4501607

CCNCc1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
CPT1A P50416 4/20 0.37
CPT1B Q92523 4/20 0.37
NR1H4 Q96RI1 2/20 0.36
CYP26A1 O43174 2/20 0.36
CYP26B1 Q9NR63 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
LRRK2 Q5S007 1/20 0.35
ALDH1A1 P00352 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
PTGER1 P34995 2/20 0.35
RORC P51449 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
SCHEMBL4501603 1.00 KDM4E (0.39) KDM4EMAPTCPT1ACPT1BNR1H4
SCHEMBL4506200 0.91 NR1H4 (0.38) KDM4EMAPTNR1H4ALDH1A1PTGER1
SCHEMBL4506206 0.91 NR1H4 (0.38) KDM4EMAPTNR1H4ALDH1A1PTGER1
SCHEMBL228733 0.91 FFAR1 (0.42) NR1H4PTGER1
SCHEMBL228734 0.91 FFAR1 (0.42) NR1H4PTGER1
SCHEMBL4500507 0.91 KDM4E (0.41) KDM4EMAPTCPT1ACPT1BNR1H4
SCHEMBL4500501 0.91 KDM4E (0.41) KDM4EMAPTCPT1ACPT1BNR1H4
SCHEMBL4487584 0.89 MAPT (0.37) KDM4EMAPTLRRK2ALDH1A1PTGER1
SCHEMBL4487580 0.89 MAPT (0.37) KDM4EMAPTLRRK2ALDH1A1PTGER1
SCHEMBL4486442 0.89 BACE1 (0.40) KDM4ENR1H4CYP26A1CYP26B1ALDH1A1

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 KDM4E 1648/4885MAPT 545/4885CPT1A 1291/4885

“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.