SCHEMBL76743

SCHEMBL76743

O=[N+]([O-])c1ccc(C=Cc2cccnc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
ALDH1A1 P00352 3/20 0.63
LMNA P02545 1/20 0.63
VCP P55072 1/20 0.63
CYP11B1 P15538 1/20 0.59
CYP11B2 P19099 1/20 0.59
POLB P06746 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CYP19A1 P11511 1/20 0.58
HTT P42858 1/20 0.55
CYP1A2 P05177 1/20 0.54
GAA P10253 1/20 0.54
CYP2D6 P10635 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
DAPK3 O43293 1/20 0.53
APP P05067 1/20 0.53
FBP1 P09467 1/20 0.51

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
SCHEMBL76742 1.00 MAPT (0.67) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL3838345 0.84 TGM2 (0.67) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL3838344 0.84 TGM2 (0.67) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL29419007 0.82 CYP11B1 (0.86) MAPTNPC1RAB9AALDH1A1VCP
SCHEMBL62412 0.80 MAPT (1.00) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL62411 0.80 MAPT (1.00) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL1405433 0.80 CYP19A1 (0.72) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL1405432 0.80 CYP19A1 (0.72) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL29136503 0.80 CYP19A1 (0.72) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL458177 0.80 APP (0.78) MAPTNPC1RAB9ASMN1; SMN2CYP19A1

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 MAPT 3439/4885NPC1 4385/4885RAB9A 3879/4885

“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.