SCHEMBL2491634

SCHEMBL2491634

NC(=O)c1sc(N)nc1-c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
IKBKB O14920 4/20 0.53
HTT P42858 1/20 0.50
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
MYC P01106 1/20 0.49
WDR5 P61964 1/20 0.49
RORB Q92753 2/20 0.47
FBP1 P09467 1/20 0.47
LIMK1 P53667 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
CDC7 O00311 3/20 0.46
DBF4 Q9UBU7 3/20 0.46
HSD17B10 Q99714 1/20 0.46
BRAF P15056 1/20 0.45

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
SCHEMBL257438 0.84 ADORA3 (0.54) POLBHTTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2521905 0.83 ALDH1A1 (0.62) POLBIKBKBHTTALDH1A1SMN1; SMN2
SCHEMBL2493975 0.82 RORB (0.69) IKBKBALDH1A1KMT2ARORBCDC7
SCHEMBL178218 0.81 ADORA3 (0.60) POLBHTTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2491719 0.80 MYC (0.52) IKBKBALDH1A1MYCWDR5RORB
SCHEMBL257437 0.79 RORB (0.76) POLBALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL11161509 0.79 ALDH1A1 (0.76) HTTALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL257616 0.78 ADORA3 (0.64) ALDH1A1SMN1; SMN2L3MBTL1MEN1MAPT
SCHEMBL257393 0.78 RORB (0.60) POLBALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL256653 0.77 RORB (0.59) POLBALDH1A1SMN1; SMN2L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102256972-A Thiazolyl-benzimidazoles HOFFMANN LA ROCHE 2011-11-23 CN disclosed
EP-2379543-A2 THIAZOLYL-BENZIMIDAZOLES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
WO-2010121675-A2 THIAZOLYL-BENZIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
WO-2010121675-A2 THIAZOLYL-BENZIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 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-20100160308-A1 Thiazolyl-Benzimidazoles CYP3A7, CYP2C19, CYP3A5 POLB 3870/4885IKBKB 1034/4885HTT 1345/4885

“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.