SCHEMBL4505644

SCHEMBL4505644

CC(=O)NCCc1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.42
MAPT P10636 5/20 0.42
HTT P42858 2/20 0.40
LRRK2 Q5S007 1/20 0.40
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
FPR2 P25090 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
SCHEMBL4505647 1.00 CNR1 (0.43) CNR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4496959 0.90 CD274 (0.41) CNR1NPC1RAB9ALRRK2
SCHEMBL4487770 0.90 TAAR1 (0.39) CNR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4487766 0.90 TAAR1 (0.39) CNR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4488157 0.89 MARS1 (0.41) CNR1NPC1RAB9AKMT2AMEN1
SCHEMBL4498770 0.88 CNR1 (0.37) CNR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4498773 0.88 CNR1 (0.37) CNR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4492859 0.88 TMEM97 (0.45) SMN1; SMN2LRRK2
SCHEMBL4492857 0.88 TMEM97 (0.45) SMN1; SMN2LRRK2
SCHEMBL2121394 0.87 MAPT (0.47) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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 487/4885NPC1 3787/4885RAB9A 1671/4885

“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.