SCHEMBL3244895

SCHEMBL3244895

Cc1cc(Sc2ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3n2)cc(C)c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.56
ESRRA P11474 1/20 0.50
FFAR1 O14842 12/20 0.47
PPARA Q07869 6/20 0.47
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL7834308 0.85 PPARG (0.67) PPARGESRRAFFAR1PPARA
SCHEMBL6544763 0.84 PPARG (0.62) PPARGESRRAFFAR1PPARAMEN1
SCHEMBL3245551 0.80 PPARG (0.49) PPARGESRRAFFAR1PPARA
SCHEMBL6900078 0.79 PPARG (0.69) PPARGESRRAFFAR1PPARAMEN1
SCHEMBL6900101 0.78 PPARG (0.68) PPARGESRRAFFAR1PPARAMEN1
SCHEMBL1130791 0.77 PPARG (0.73) PPARGESRRAFFAR1PPARAMEN1
SCHEMBL6898265 0.76 PPARG (0.66) PPARGESRRAFFAR1PPARACYP3A4
Hydrochloric Acid SCHEMBL7585736 0.76 PPARG (0.71) PPARGESRRAFFAR1PPARAMEN1
SCHEMBL6903005 0.75 PPARG (0.73) PPARGESRRAFFAR1PPARAHRH3
SCHEMBL7836277 0.75 PPARG (0.70) PPARGESRRAFFAR1PPARA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 PPARG 929/4885ESRRA 961/4885FFAR1 942/4885

“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.