SCHEMBL4504441

SCHEMBL4504441

CN(C)Cc1cccc(NC(=C2C(=O)Nc3cc(F)ccc32)c2ccc(CC(=O)O)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
HPSE Q9Y251 2/20 0.37
PPARD Q03181 6/20 0.36
PPARG P37231 5/20 0.36
PPARA Q07869 5/20 0.36
BACE1 P56817 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ACKR3 P25106 1/20 0.34
CYP26A1 O43174 1/20 0.34
CYP26B1 Q9NR63 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CASP3 P42574 1/20 0.34
TGM2 P21980 1/20 0.34
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 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
SCHEMBL4504439 1.00 NR1H4 (0.38) NR1H4ALDH1A1MAPK1HPSEPPARD
SCHEMBL4500449 0.93 NR1H4 (0.38) NR1H4ALDH1A1MAPK1HPSEPPARD
SCHEMBL4500452 0.93 NR1H4 (0.38) NR1H4ALDH1A1MAPK1HPSEPPARD
SCHEMBL4480808 0.92 TAAR1 (0.37) NR1H4ALDH1A1MAPK1HPSEPPARD
SCHEMBL4480805 0.92 TAAR1 (0.37) NR1H4ALDH1A1MAPK1HPSEPPARD
SCHEMBL228199 0.92 FFAR1 (0.39) NR1H4ALDH1A1PPARDPPARGPPARA
SCHEMBL228198 0.92 FFAR1 (0.39) NR1H4ALDH1A1PPARDPPARGPPARA
SCHEMBL225486 0.91 BACE1 (0.40) NR1H4MAPK1HPSEBACE1KDM4E
SCHEMBL225485 0.91 BACE1 (0.40) NR1H4MAPK1HPSEBACE1KDM4E
SCHEMBL4505424 0.91 PTGES (0.38) BACE1HPGDACKR3MAOAMAOB

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 NR1H4 544/4885ALDH1A1 2036/4885MAPK1 273/4885

“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.