SCHEMBL4498770

SCHEMBL4498770

CCNCCc1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SLC2A1 P11166 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KMT2A Q03164 3/20 0.35
CES1 P23141 1/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
BACE1 P56817 1/20 0.35
POLB P06746 1/20 0.35
CHEK1 O14757 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LRRK2 Q5S007 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
SCHEMBL4498773 1.00 CNR1 (0.37) CNR1SMN1; SMN2NPC1RAB9ASLC2A1
SCHEMBL4487770 0.90 TAAR1 (0.39) CNR1SMN1; SMN2NPC1RAB9AMAOA
SCHEMBL4487766 0.90 TAAR1 (0.39) CNR1SMN1; SMN2NPC1RAB9AMAOA
SCHEMBL4505647 0.88 CNR1 (0.43) CNR1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL4505644 0.88 CNR1 (0.43) CNR1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL4489902 0.86 PLK1 (0.40) CNR1SMN1; SMN2NPC1RAB9AMAOA
SCHEMBL4489906 0.86 PLK1 (0.40) CNR1SMN1; SMN2NPC1RAB9AMAOA
SCHEMBL479605 0.86 MAPT (0.42) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL479602 0.86 MAPT (0.42) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL4482774 0.86 KDR (0.39) MAOAMAOBKMT2ACES1MEN1

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 CNR1 487/4885SMN1; SMN2 4006/4885NPC1 3787/4885

“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.