SCHEMBL957634

SCHEMBL957634

COc1cc(C)c(Br)cn1.OBO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.49
CYP2A6 P11509 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PABPC1 P11940 1/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
MAPT P10636 1/20 0.34
FBP1 P09467 1/20 0.33
PIK3CA P42336 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
POLB P06746 1/20 0.33
POLQ O75417 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33

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
SCHEMBL364584 0.92 NNMT (0.50) NNMTCYP2A6MEN1KMT2APABPC1
SCHEMBL29907269 0.92 NNMT (0.50) NNMTCYP2A6MEN1KMT2APABPC1
SCHEMBL14276053 0.76 NNMT (0.46) NNMTCYP2A6MEN1KMT2APABPC1
SCHEMBL29911687 0.76 NNMT (0.46) NNMTCYP2A6MEN1KMT2APABPC1
SCHEMBL24456204 0.76 NNMT (0.50) NNMTCYP2A6MEN1KMT2APABPC1
SCHEMBL22448813 0.75 NNMT (0.41) NNMTMEN1KMT2APABPC1HSD17B1
SCHEMBL16475219 0.74 NNMT (0.49) NNMTCYP2A6MEN1KMT2APABPC1
SCHEMBL2614474 0.73 NNMT (0.55) NNMTCYP2A6MEN1KMT2APABPC1
SCHEMBL1459785 0.73 GABRA1 (0.39) NNMTMAPTPIK3CAGABRPGABRD
SCHEMBL2837318 0.73 GABRA1 (0.41) NNMTMEN1KMT2AMAPTPIK3CA

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-7868030-B2 FBPase inhibitors for diabetes HOFFMANN-LA ROCHE INC. (US) 2011-01-11 US disclosed
EP-2032548-A1 THIAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP disclosed
WO-2007137962-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 WO disclosed
US-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents HOFFMANN-LA ROCHE INC. 2007-12-06 US 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-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents FBP1, PFKFB1, PFKFB3 NNMT 451/4885CYP2A6 282/4885MEN1 1481/4885

“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.