SCHEMBL4498431

SCHEMBL4498431

CN(C)CCc1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
CPT1A P50416 4/20 0.36
CPT1B Q92523 4/20 0.36
NR1H4 Q96RI1 3/20 0.35
CYP26A1 O43174 2/20 0.35
CYP26B1 Q9NR63 2/20 0.35
LRRK2 Q5S007 1/20 0.35
PLK1 P53350 1/20 0.34
LSS P48449 1/20 0.34
MEN1 O00255 1/20 0.34
FFAR1 O14842 1/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4498426 1.00 HRH3 (0.41) HRH3KDM4EMAPTCPT1ACPT1B
SCHEMBL4493362 0.95 PLK1 (0.40) HRH3KDM4EMAPTCPT1ACPT1B
SCHEMBL4493366 0.95 PLK1 (0.40) HRH3KDM4EMAPTCPT1ACPT1B
SCHEMBL226747 0.93 HRH3 (0.41) HRH3KDM4EMAPTNR1H4LRRK2
SCHEMBL226746 0.93 HRH3 (0.41) HRH3KDM4EMAPTNR1H4LRRK2
SCHEMBL4488257 0.91 PLK1 (0.42) KDM4EMAPTNR1H4PLK1MEN1
SCHEMBL4488258 0.91 PLK1 (0.42) KDM4EMAPTNR1H4PLK1MEN1
SCHEMBL4488427 0.91 HRH3 (0.38) HRH3KDM4EMAPTNR1H4PLK1
SCHEMBL4488420 0.91 HRH3 (0.38) HRH3KDM4EMAPTNR1H4PLK1
SCHEMBL4485267 0.91 LSS (0.43) KDM4EMAPTCPT1ACPT1BNR1H4

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 HRH3 869/4885KDM4E 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.