SCHEMBL4492645

SCHEMBL4492645

O=C1Nc2cc(Cl)ccc2C1=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
P2RX1 P51575 2/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX7 Q99572 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.44
GRIK1 P39086 1/20 0.42
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
NR1H4 Q96RI1 2/20 0.41
PPARA Q07869 1/20 0.41
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
AURKB Q96GD4 1/20 0.40
RHOC P08134 1/20 0.39
RHOA P61586 1/20 0.39
CES1 P23141 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
HTT P42858 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL4492642 1.00 NPC1 (0.45) NPC1RAB9AP2RX1P2RX4P2RX7
SCHEMBL4487044 0.92 CES1 (0.39) NPC1RAB9APOLBCES1RXFP1
SCHEMBL4507715 0.90 CES1 (0.46) NPC1RAB9APOLBCES1RXFP1
SCHEMBL4507721 0.90 CES1 (0.46) NPC1RAB9APOLBCES1RXFP1
SCHEMBL4496723 0.89 CES1 (0.47) NPC1RAB9ATMPRSS4CES1RXFP1
SCHEMBL4496719 0.89 CES1 (0.47) NPC1RAB9ATMPRSS4CES1RXFP1
SCHEMBL4482176 0.88 BACE1 (0.50) NPC1RAB9AP2RX1GRIK1POLB
SCHEMBL4482182 0.88 BACE1 (0.50) NPC1RAB9AP2RX1GRIK1POLB
SCHEMBL4500243 0.87 CES1 (0.43) GRIK1CES1RXFP1BACE1
SCHEMBL4500246 0.87 CES1 (0.43) GRIK1CES1RXFP1BACE1

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 2 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

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 3787/4885RAB9A 1671/4885P2RX1 775/4885

“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.