SCHEMBL4504546

SCHEMBL4504546

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
POLB P06746 2/20 0.42
AHR P35869 1/20 0.42
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
CYP26B1 Q9NR63 2/20 0.38
NR1H4 Q96RI1 3/20 0.37
LRRK2 Q5S007 1/20 0.36
BRD4 O60885 1/20 0.36
CPT1A P50416 3/20 0.36
CPT1B Q92523 3/20 0.36
CASP6 P55212 1/20 0.36
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP26A1 O43174 1/20 0.35
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL4504553 1.00 NPC1 (0.42) NPC1POLBAHRKDM4EMAPT
SCHEMBL225336 0.91 POLB (0.41) NPC1POLBAHRNR1H4LRRK2
SCHEMBL225337 0.91 POLB (0.41) NPC1POLBAHRNR1H4LRRK2
SCHEMBL4485975 0.91 KDM4E (0.37) NPC1POLBAHRKDM4EMAPT
SCHEMBL4484183 0.91 NPC1 (0.40) NPC1POLBAHRKDM4EMAPT
SCHEMBL4485968 0.91 KDM4E (0.37) NPC1POLBAHRKDM4EMAPT
SCHEMBL4484188 0.91 NPC1 (0.40) NPC1POLBAHRKDM4EMAPT
SCHEMBL226479 0.90 BACE1 (0.39) NPC1POLBKDM4EMAPTCYP26B1
SCHEMBL226480 0.90 BACE1 (0.39) NPC1POLBKDM4EMAPTCYP26B1
SCHEMBL4493805 0.89 KDM4E (0.36) KDM4EMAPTCYP26B1NR1H4CPT1A

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 NPC1 3787/4885POLB 4146/4885AHR 598/4885

“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.