SCHEMBL2491364

SCHEMBL2491364

O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)cs1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.61
ALDH1A1 P00352 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.59
KIF11 P52732 2/20 0.42
PARP1 P09874 1/20 0.42
TNKS O95271 1/20 0.42
SCN2A Q99250 2/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
COMT P21964 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL16414469 0.82 BRD4 (0.61) BRD4ALDH1A1SMN1; SMN2KIF11PARP1
SCHEMBL2490895 0.80 BRD4 (0.60) BRD4ALDH1A1SMN1; SMN2SCN2AMAPT
SCHEMBL16414695 0.79 BRD4 (0.67) BRD4ALDH1A1SMN1; SMN2MEN1GAA
SCHEMBL15351377 0.78 BRD4 (0.56) BRD4ALDH1A1SMN1; SMN2SCN2A
SCHEMBL17797070 0.77 SMN1; SMN2 (0.68) BRD4ALDH1A1SMN1; SMN2CDK1GSK3A
SCHEMBL16415205 0.76 SMN1; SMN2 (0.92) BRD4ALDH1A1SMN1; SMN2
SCHEMBL15351910 0.76 BRD4 (0.67) BRD4ALDH1A1SMN1; SMN2MEN1GAA
SCHEMBL16414580 0.76 BRD4 (0.67) BRD4ALDH1A1SMN1; SMN2MEN1GAA
SCHEMBL26134841 0.72 KIF11 (0.52) ALDH1A1KIF11PARP1TNKSSCN2A
SCHEMBL27994686 0.71 BRD4 (0.66) BRD4ALDH1A1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 US disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 US disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 US disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 US 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 (2 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-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 BRD4 1822/4885ALDH1A1 1716/4885SMN1; SMN2 4085/4885
US-20100160308-A1 Thiazolyl-Benzimidazoles CYP3A7, CYP2C19, CYP3A5 BRD4 727/4885ALDH1A1 100/4885SMN1; SMN2 2260/4885

“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.