SCHEMBL4500449

SCHEMBL4500449

CN(C)Cc1cccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2cccc(CC(=O)O)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 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
ROCK2 O75116 1/20 0.35
PTGES O14684 1/20 0.35
SELP P16109 1/20 0.35
SELE P16581 1/20 0.35
BACE1 P56817 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CASP3 P42574 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
TGM2 P21980 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
AGBL2 Q5U5Z8 1/20 0.34
KDM1A O60341 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
SCHEMBL4500452 1.00 NR1H4 (0.38) NR1H4HPSEPPARDPPARGPPARA
SCHEMBL224440 0.93 ROCK2 (0.40) NR1H4HPSEROCK2BACE1
SCHEMBL224439 0.93 ROCK2 (0.40) NR1H4HPSEROCK2BACE1
SCHEMBL4504439 0.93 NR1H4 (0.38) NR1H4HPSEPPARDPPARGPPARA
SCHEMBL4504441 0.93 NR1H4 (0.38) NR1H4HPSEPPARDPPARGPPARA
SCHEMBL4488724 0.92 TAAR1 (0.37) NR1H4HPSEPPARDPPARGPPARA
SCHEMBL4488727 0.92 TAAR1 (0.37) NR1H4HPSEPPARDPPARGPPARA
SCHEMBL223858 0.92 ITGB3 (0.38) NR1H4PPARDPPARGPPARAROCK2
SCHEMBL223859 0.92 ITGB3 (0.38) NR1H4PPARDPPARGPPARAROCK2
SCHEMBL4505424 0.91 PTGES (0.38) ROCK2PTGESBACE1MAOAMAOB

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 NR1H4 544/4885HPSE 4355/4885PPARD 1772/4885

“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.