Sugi Predict

Sugi Predict / Compounds / SCHEMBL4497342

SCHEMBL4497342

SCHEMBL4497342

CC(C)(N)c1cccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc(CC(=O)O)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 7/20 0.40
▸ MAPT P10636 3/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ P2RX1 P51575 2/20 0.37
▸ PPARG P37231 4/20 0.37
▸ PPARD Q03181 2/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ CDK19 Q9BWU1 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ HSPH1 Q92598 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35

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 0.92 NR1H4 (0.41) NR1H4CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL4485266 0.91 NR1H4 (0.45) NR1H4MAPTKDM4EMEN1KMT2A
SCHEMBL4504436 0.90 NR1H4 (0.40) NR1H4MAPTCYP2C19KDM4EPPARG
SCHEMBL4504444 0.89 P2RX1 (0.40) NR1H4P2RX1PPARGNTRK1CDK19
SCHEMBL227667 0.86 HSPH1 (0.45) NR1H4CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL4481986 0.85 NR1H4 (0.38) NR1H4MAPTKDM4EPPARGPPARD
SCHEMBL4481984 0.85 NR1H4 (0.38) NR1H4MAPTKDM4EPPARGPPARD
SCHEMBL4488874 0.85 NR1H4 (0.40) NR1H4MAPTCYP2C19KDM4EPPARG
SCHEMBL4485914 0.85 KDM4E (0.42) NR1H4MAPTKDM4ETP53MEN1
SCHEMBL4485917 0.85 KDM4E (0.42) NR1H4MAPTKDM4ETP53MEN1

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 544/4885MAPT 545/4885CYP2C19 127/4885

“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.