SCHEMBL4485965

SCHEMBL4485965

CN(C(=O)C(C)(C)N)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.39
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
CYP26B1 Q9NR63 2/20 0.35
CPT1A P50416 8/20 0.34
CPT1B Q92523 8/20 0.34
CPT2 P23786 1/20 0.33
CYP26A1 O43174 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
SCHEMBL226534 0.92 NR1H4 (0.38) NR1H4CPT1ACPT1B
SCHEMBL227304 0.92 KDR (0.36)
SCHEMBL4481482 0.91 SENP1 (0.35) NR1H4KDM4EMAPTCPT1ACPT1B
SCHEMBL225790 0.90 NR1H4 (0.39) NR1H4KDM4EMAPTCYP26B1CYP26A1
SCHEMBL4500469 0.90 LRRK2 (0.35) MAPT
SCHEMBL4506120 0.89 LRRK2 (0.42) MAPT
SCHEMBL4504546 0.89 NPC1 (0.42) NR1H4KDM4EMAPTCYP26B1CPT1A
SCHEMBL4504553 0.89 NPC1 (0.42) NR1H4KDM4EMAPTCYP26B1CPT1A
SCHEMBL4485266 0.88 NR1H4 (0.45) NR1H4KDM4EMAPTCYP26B1CPT1A
SCHEMBL4502977 0.88 NPC1 (0.37) MAPT

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 4 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
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 WO 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 544/4885KDM4E 1648/4885MAPT 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.