SCHEMBL76774

SCHEMBL76774

Cc1cc(C(F)(F)F)nc(S(C)(=O)=O)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SDHB P21912 10/20 0.60
NPSR1 Q6W5P4 7/20 0.58
HPGD P15428 6/20 0.58
LMNA P02545 6/20 0.58
TP53 P04637 5/20 0.58
HTT P42858 5/20 0.58
RAB9A P51151 4/20 0.58
STAT3 P40763 4/20 0.58
HSD17B10 Q99714 4/20 0.58
KMT2A Q03164 4/20 0.58
STAT1 P42224 2/20 0.58
TLR9 Q9NR96 2/20 0.58
S1PR4 O95977 2/20 0.58
S1PR1 P21453 2/20 0.58
MAPK1 P28482 2/20 0.58
MEN1 O00255 1/20 0.58
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 6/20 0.56
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 4/20 0.56

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
SCHEMBL1830578 0.88 SDHB (0.65) SDHBNPSR1HPGDLMNATP53
SCHEMBL15662202 0.80 SDHB (0.56) SDHBNPSR1HPGDLMNATP53
SCHEMBL1051087 0.80 LMNA (0.52) SDHBNPSR1HPGDLMNATP53
SCHEMBL1829027 0.77 SDHB (0.54) SDHBNPSR1HPGDLMNATP53
SCHEMBL8446796 0.77 LMNA (0.68) SDHBNPSR1HPGDLMNATP53
SCHEMBL27776507 0.77 SDHB (0.54) SDHBNPSR1HPGDLMNATP53
SCHEMBL19805673 0.76 SDHB (1.00) SDHBNPSR1HPGDLMNATP53
SCHEMBL19805688 0.74 SDHB (1.00) SDHBNPSR1HPGDLMNATP53
SCHEMBL29975914 0.74 NPSR1 (1.00) SDHBNPSR1HPGDLMNATP53
SCHEMBL28307436 0.74 NPSR1 (1.00) SDHBNPSR1HPGDLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3842420-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners LLC (US) 2021-06-30 EP disclosed
US-8129396-B2 2-[1H-benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2012-03-06 US disclosed
CN-102159568-A 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK INC 2011-08-17 CN disclosed
EP-2346856-A1 2-[1H-BENZIMIDAZOL-2(3H)-YLIDENE]-2-(PYRIMIDIN-2-YL)ACETAMIDES AND 2-[BENZOTHIAZOL-2(3H)-YLIDENE]-2-(PYRIMIDIN-2-YL)ACETAMIDES AS KINASE INHIBITORS Telik, Inc. (US) 2011-07-27 EP disclosed
US-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. 2010-04-01 US disclosed
WO-2010036873-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2010-04-01 WO 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-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors MAP3K2, MAP4K2, MAP3K12 SDHB 2968/4885NPSR1 4681/4885HPGD 2547/4885

“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.