Sugi Predict

Sugi Predict / Compounds / SCHEMBL4480805

SCHEMBL4480805

SCHEMBL4480805

CN(C)CCc1cccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccc(CC(=O)O)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ NR1H4 Q96RI1 5/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HPSE Q9Y251 2/20 0.36
▸ PPARD Q03181 5/20 0.35
▸ PPARG P37231 4/20 0.35
▸ PPARA Q07869 4/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ LPAR1 Q92633 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTR1F P30939 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ CYP26A1 O43174 1/20 0.33
▸ CYP26B1 Q9NR63 1/20 0.33
▸ MET P08581 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
SCHEMBL4480808 1.00 TAAR1 (0.37) TAAR1BACE1NR1H4ALDH1A1MAPK1
SCHEMBL4500851 0.95 LPAR1 (0.39) BACE1NR1H4ALDH1A1MAPK1HPSE
SCHEMBL4500854 0.95 LPAR1 (0.39) BACE1NR1H4ALDH1A1MAPK1HPSE
SCHEMBL4488727 0.93 TAAR1 (0.37) TAAR1BACE1NR1H4ALDH1A1MAPK1
SCHEMBL4488724 0.93 TAAR1 (0.37) TAAR1BACE1NR1H4ALDH1A1MAPK1
SCHEMBL226633 0.93 ITGB3 (0.39) TAAR1BACE1NR1H4ALDH1A1PPARD
SCHEMBL226632 0.93 ITGB3 (0.39) TAAR1BACE1NR1H4ALDH1A1PPARD
SCHEMBL4504439 0.92 NR1H4 (0.38) BACE1NR1H4ALDH1A1MAPK1HPSE
SCHEMBL4504441 0.92 NR1H4 (0.38) BACE1NR1H4ALDH1A1MAPK1HPSE
SCHEMBL227965 0.91 BACE1 (0.41) TAAR1BACE1NR1H4MAPK1KDM4E

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 TAAR1 511/4885BACE1 1615/4885NR1H4 544/4885

“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.