Sugi Predict

Sugi Predict / Compounds / SCHEMBL4488874

SCHEMBL4488874

SCHEMBL4488874

CC(C)(N)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2cccc(CC(=O)O)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 6/20 0.40
▸ SHMT1 P34896 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PPARG P37231 2/20 0.37
▸ PPARD Q03181 2/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ HPSE Q9Y251 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ HSPH1 Q92598 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ AGBL2 Q5U5Z8 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
SCHEMBL4494454 0.93 NR1H4 (0.41) NR1H4SHMT1CYP1A2CYP2C19PPARG
SCHEMBL4485266 0.90 NR1H4 (0.45) NR1H4HPSEKDM4EMEN1KMT2A
SCHEMBL4487849 0.90 NR1H4 (0.40) NR1H4HPSERXFP1KDM4EMEN1
SCHEMBL4487853 0.90 NR1H4 (0.40) NR1H4HPSERXFP1KDM4EMEN1
SCHEMBL4481482 0.89 SENP1 (0.35) NR1H4SHMT1CYP1A2CYP2C19HPSE
SCHEMBL4500945 0.88 NR1H4 (0.39) NR1H4HPSERXFP1KDM4EMEN1
SCHEMBL4500950 0.88 NR1H4 (0.39) NR1H4HPSERXFP1KDM4EMEN1
SCHEMBL4488882 0.87 ROCK2 (0.41) NR1H4CYP2C19RXFP1KDM4EMEN1
SCHEMBL4488877 0.87 ROCK2 (0.41) NR1H4CYP2C19RXFP1KDM4EMEN1
SCHEMBL4487044 0.87 CES1 (0.39) RXFP1KDM4EMEN1KMT2AMAPT

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 544/4885SHMT1 1686/4885CYP1A2 505/4885

“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.