SCHEMBL4500854

SCHEMBL4500854

CN(C)CCCc1cccc(NC(=C2C(=O)Nc3cc(F)ccc32)c2ccc(CC(=O)O)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.39
PLK1 P53350 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
FLT3 P36888 2/20 0.36
BACE1 P56817 1/20 0.36
NR1H4 Q96RI1 3/20 0.36
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
FGFR1 P11362 1/20 0.35
KDR P35968 1/20 0.35
PLK3 Q9H4B4 1/20 0.35
HPSE Q9Y251 2/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
MET P08581 7/20 0.34
LPAR5 Q9H1C0 1/20 0.33

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
SCHEMBL4500851 1.00 LPAR1 (0.39) LPAR1PLK1ALDH1A1MAPK1FLT3
SCHEMBL4480808 0.95 TAAR1 (0.37) LPAR1ALDH1A1MAPK1FLT3BACE1
SCHEMBL4480805 0.95 TAAR1 (0.37) LPAR1ALDH1A1MAPK1FLT3BACE1
SCHEMBL4493725 0.94 PLK1 (0.38) LPAR1PLK1ALDH1A1MAPK1FLT3
SCHEMBL4493722 0.94 PLK1 (0.38) LPAR1PLK1ALDH1A1MAPK1FLT3
SCHEMBL226975 0.93 PLK1 (0.39) PLK1ALDH1A1FLT3BACE1NR1H4
SCHEMBL226974 0.93 PLK1 (0.39) PLK1ALDH1A1FLT3BACE1NR1H4
SCHEMBL4493512 0.92 BACE1 (0.40) LPAR1ALDH1A1MAPK1FLT3BACE1
SCHEMBL4493517 0.92 BACE1 (0.40) LPAR1ALDH1A1MAPK1FLT3BACE1
SCHEMBL4499144 0.90 PLK1 (0.48) PLK1FLT3NR1H4PDGFRBKIT

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 LPAR1 912/4885PLK1 86/4885ALDH1A1 2036/4885

“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.