SCHEMBL4493803

SCHEMBL4493803

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
MAPT P10636 1/20 0.36
CYP26B1 Q9NR63 2/20 0.35
NR1H4 Q96RI1 2/20 0.35
CPT1A P50416 5/20 0.34
CPT1B Q92523 5/20 0.34
PLK1 P53350 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP26A1 O43174 1/20 0.33
PLK3 Q9H4B4 1/20 0.32

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
SCHEMBL4493805 1.00 KDM4E (0.36) KDM4EMAPTCYP26B1NR1H4CPT1A
SCHEMBL4484977 0.96 PLK1 (0.36) KDM4EMAPTCYP26B1NR1H4CPT1A
SCHEMBL4484974 0.96 PLK1 (0.36) KDM4EMAPTCYP26B1NR1H4CPT1A
SCHEMBL4489146 0.94 PLK1 (0.35) KDM4EMAPTCYP26B1NR1H4CPT1A
SCHEMBL4489144 0.94 PLK1 (0.35) KDM4EMAPTCYP26B1NR1H4CPT1A
SCHEMBL225456 0.93 PLK1 (0.34) NR1H4PLK1PLK3
SCHEMBL225455 0.93 PLK1 (0.34) NR1H4PLK1PLK3
SCHEMBL4485968 0.92 KDM4E (0.37) KDM4EMAPTCYP26B1NR1H4CPT1A
SCHEMBL4485975 0.92 KDM4E (0.37) KDM4EMAPTCYP26B1NR1H4CPT1A
SCHEMBL4499842 0.91 PLK1 (0.37) KDM4EMAPTNR1H4PLK1ALDH1A1

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 KDM4E 1648/4885MAPT 545/4885CYP26B1 494/4885

“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.