SCHEMBL4077809

SCHEMBL4077809

CS(=O)(=O)C(C#N)=Cc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.67
MAPT P10636 8/20 0.53
ALDH1A1 P00352 7/20 0.53
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
MAPK1 P28482 4/20 0.53
NPC1 O15118 1/20 0.53
ALDH5A1 P51649 1/20 0.52
ABAT P80404 1/20 0.52
POLB P06746 4/20 0.52
HPGD P15428 4/20 0.52
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
RECQL P46063 2/20 0.52
BLM P54132 2/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL4077804 1.00 EGFR (0.67) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL4078436 1.00 EGFR (0.67) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL4070448 0.82 EGFR (0.60) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL4071185 0.82 EGFR (0.60) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL4071182 0.82 EGFR (0.60) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL4185321 0.80 MAPT (0.59) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL4181967 0.80 EGFR (0.57) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL4181964 0.80 EGFR (0.57) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL4185318 0.80 MAPT (0.59) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL4181957 0.80 EGFR (0.57) EGFRMAPTALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1625112-B1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY HIGH POINT PHARMACEUTICALS LLC (US) 2009-07-22 EP claimed
JP-2007503453-A 2007-02-22 JP claimed
US-20060128662-A1 Novel compounds for treatment of obesity NOVO NORDISK A/S (DK) 2006-06-15 US claimed
EP-1625112-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2006-02-15 EP claimed
WO-2004101505-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-11-25 WO claimed
EP-1625112-B1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY HIGH POINT PHARMACEUTICALS LLC (US) 2009-07-22 EP disclosed
US-20060128662-A1 Novel compounds for treatment of obesity NOVO NORDISK A/S (DK) 2006-06-15 US disclosed
EP-1625112-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2006-02-15 EP disclosed
WO-2004101505-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-11-25 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-20060128662-A1 Novel compounds for treatment of obesity GPR119, FABP4, HSD17B4 EGFR 4687/4885MAPT 4680/4885ALDH1A1 66/4885

“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.