SCHEMBL14770563

SCHEMBL14770563

CC(c1ccc(S(C)(=O)=O)cc1)c1nc2cc(F)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
PTGS2 P35354 13/20 0.40
SCD O00767 1/20 0.39
PTGS1 P23219 4/20 0.39
TDO2 P48775 1/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ALOX5 P09917 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CSNK1A1L Q8N752 1/20 0.38

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
SCHEMBL14770501 0.83 MLKL (0.46) BRD4ALPLALPIALPGALDH1A1
SCHEMBL12065293 0.82 BRD4 (0.41) BRD4PTGS2SCDPTGS1TDO2
SCHEMBL14770492 0.80 AMY1A (0.41) ALPLALPIALPGALDH1A1ALOX5
SCHEMBL29212574 0.77 KDM4E (0.51) ALPLALPIALPGALDH1A1ALOX5
SCHEMBL14770508 0.77 KMT2A (0.49) ALPLALPIALPGALDH1A1ALOX5
SCHEMBL23676506 0.76 KDM4E (0.51) BRD4SCD
SCHEMBL4111095 0.75 HSD17B10 (0.57) ALPLALPIALPGALDH1A1
SCHEMBL14770504 0.74 BRD4 (0.42) BRD4ALPLALPIALPG
SCHEMBL14770682 0.72 AMY1A (0.41) BRD4ALPLALPIALPG
SCHEMBL14770503 0.72 AMY1A (0.42) BRD4ALPLALPIALPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096531-B2 Fused imidazole derivative TOA EIYO LTD. (JP) 2015-08-04 US disclosed
US-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE TOA EIYO LTD. (JP) 2013-03-14 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-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE CACNA1E, CACNA1G, CACNA1A BRD4 1580/4885PTGS2 370/4885SCD 4496/4885

“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.