SCHEMBL4500501

SCHEMBL4500501

CNCc1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
CPT1A P50416 4/20 0.39
CPT1B Q92523 4/20 0.39
F10 P00742 1/20 0.39
NR1H4 Q96RI1 3/20 0.37
CYP26A1 O43174 2/20 0.37
CYP26B1 Q9NR63 2/20 0.37
LRRK2 Q5S007 1/20 0.36
RORC P51449 1/20 0.36
MEN1 O00255 1/20 0.35
FFAR1 O14842 1/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 1/20 0.35
CES1 P23141 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
SCHEMBL4500507 1.00 KDM4E (0.41) KDM4EMAPTCPT1ACPT1BF10
SCHEMBL4481984 0.91 NR1H4 (0.38) KDM4EMAPTF10NR1H4MEN1
SCHEMBL4500950 0.91 NR1H4 (0.39) KDM4EMAPTF10NR1H4MEN1
SCHEMBL4500945 0.91 NR1H4 (0.39) KDM4EMAPTF10NR1H4MEN1
SCHEMBL4481986 0.91 NR1H4 (0.38) KDM4EMAPTF10NR1H4MEN1
SCHEMBL223541 0.91 FFAR1 (0.43) KDM4EMAPTF10NR1H4FFAR1
SCHEMBL4501603 0.91 KDM4E (0.39) KDM4EMAPTCPT1ACPT1BNR1H4
SCHEMBL4501607 0.91 KDM4E (0.39) KDM4EMAPTCPT1ACPT1BNR1H4
SCHEMBL223542 0.91 FFAR1 (0.43) KDM4EMAPTF10NR1H4FFAR1
SCHEMBL4482547 0.89 BACE1 (0.41) KDM4EMAPTNR1H4CYP26A1CYP26B1

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 545/4885CPT1A 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.