SCHEMBL2493975

SCHEMBL2493975

NC(=O)c1sc(N)nc1-c1cccc(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORB Q92753 10/20 0.69
IKBKB O14920 3/20 0.50
CDC7 O00311 2/20 0.48
DBF4 Q9UBU7 2/20 0.48
TGFBR1 P36897 1/20 0.47
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44

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
SCHEMBL15428574 0.86 KMT2A (0.52) RORBIKBKBCDC7DBF4KMT2A
SCHEMBL257615 0.85 RORB (0.72) RORBALDH1A1CDK2
SCHEMBL257432 0.84 RORB (0.74) RORBALDH1A1HSD17B10CDK2
SCHEMBL10092885 0.84 RORB (0.70) RORB
SCHEMBL2491634 0.82 POLB (0.55) RORBIKBKBCDC7DBF4KMT2A
SCHEMBL257572 0.82 RORB (1.00) RORB
SCHEMBL2521905 0.82 ALDH1A1 (0.62) RORBIKBKBCDC7DBF4KMT2A
SCHEMBL2489842 0.81 ALDH1A1 (0.73) RORBCDC7DBF4KMT2AALDH1A1
SCHEMBL257436 0.81 RORB (0.66) RORBKMT2A
SCHEMBL10092890 0.80 RORB (0.65) RORBCDK2

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 5 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
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

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 RORB 470/4885IKBKB 1034/4885CDC7 3584/4885

“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.