SCHEMBL78368

SCHEMBL78368

N#CC(C(=O)O)=C1Nc2ccccc2S1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
ALDH1A1 P00352 2/20 0.64
RAB9A P51151 2/20 0.64
NPC1 O15118 1/20 0.64
HIF1A Q16665 1/20 0.64
MAPT P10636 6/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 1/20 0.46
NOX1 Q9Y5S8 3/20 0.44
ALOX15 P16050 2/20 0.44
SNCA P37840 2/20 0.44
POLB P06746 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
BCHE P06276 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ALOX12 P18054 1/20 0.44
MAOA P21397 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
SCHEMBL78367 1.00 GAA (0.64) GAASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL79018 0.86 GAA (0.62) GAASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL79019 0.86 GAA (0.62) GAASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL14079780 0.82 GAA (0.58) GAASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL78262 0.80 GAA (0.55) GAASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL13380604 0.80 GAA (0.55) GAASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL78263 0.80 GAA (0.55) GAASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL10105463 0.80 GAA (0.55) GAASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL12641960 0.78 SMN1; SMN2 (0.55) GAASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL76412 0.78 GAA (0.56) GAASMN1; SMN2ALDH1A1RAB9ANPC1

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
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
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 GAA 2073/4885SMN1; SMN2 3379/4885ALDH1A1 1651/4885

“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.