SCHEMBL2490895

SCHEMBL2490895

O=c1[nH]c(-c2cccc(C(F)(F)F)c2)cs1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.60
SMN1; SMN2 Q16637 1/20 0.57
SCN2A Q99250 2/20 0.50
CDC7 O00311 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
XDH P47989 1/20 0.46
LDHA P00338 1/20 0.46

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
SCHEMBL2491364 0.80 BRD4 (0.61) BRD4SMN1; SMN2SCN2AALDH1A1MAPT
SCHEMBL16426224 0.76 BRD4 (0.66) BRD4SMN1; SMN2ALDH1A1
SCHEMBL15351887 0.76 BRD4 (0.66) BRD4SMN1; SMN2ALDH1A1
SCHEMBL957329 0.74 SMN1; SMN2 (1.00) BRD4SMN1; SMN2CDC7ALDH1A1MAPT
SCHEMBL29678302 0.71 TSHR (0.58) SCN2AALDH1A1
SCHEMBL1263144 0.71 TSHR (0.58) SCN2AALDH1A1
SCHEMBL17336712 0.70 SMN1; SMN2 (0.58) BRD4SMN1; SMN2ALDH1A1
Ammonia Solution, Strong SCHEMBL20472961 0.69 MAOB (0.56) SCN2AALDH1A1
SCHEMBL15352222 0.69 SMN1; SMN2 (0.62) BRD4SMN1; SMN2ALDH1A1MAPT
SCHEMBL28055593 0.69 SCN2A (0.42) SMN1; SMN2SCN2AALDH1A1MAPT

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
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 BRD4 727/4885SMN1; SMN2 2260/4885SCN2A 2951/4885

“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.