Sugi Predict

Sugi Predict / Compounds / SCHEMBL4487914

SCHEMBL4487914

SCHEMBL4487914

COC(=C1C(=O)N(C(C)=O)c2cc(Cl)ccc21)c1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.38
▸ PREP P48147 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ KCNMA1 Q12791 3/20 0.37
▸ F11 P03951 1/20 0.36
▸ KLKB1 P03952 1/20 0.36
▸ P2RX1 P51575 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL4487910 1.00 DPP4 (0.38) DPP4PREPDPP9HSP90AA1KCNMA1
SCHEMBL4499325 0.87 MEN1 (0.37) DPP4PREPDPP9KCNMA1P2RX1
SCHEMBL4499323 0.87 MEN1 (0.37) DPP4PREPDPP9KCNMA1P2RX1
SCHEMBL3527356 0.83 TP53 (0.35) LMNAALDH1A1
SCHEMBL3527354 0.83 TP53 (0.35) LMNAALDH1A1
SCHEMBL3526079 0.80 BCHE (0.45) LMNAMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL3526081 0.80 BCHE (0.45) LMNAMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL3528289 0.79 DNMT3A (0.32) MAPTMEN1KMT2A
SCHEMBL3528290 0.79 DNMT3A (0.32) MAPTMEN1KMT2A
SCHEMBL3943615 0.77 HCAR3 (0.45) LMNAMAPTHTTPOLBSMN1; SMN2

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 DPP4 3366/4885PREP 3533/4885DPP9 2535/4885

“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.