SCHEMBL79133

SCHEMBL79133

CCN(C(=O)[C@@H]1CCCN1C)c1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 5/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
POLQ O75417 1/20 0.37
AR P10275 1/20 0.37
TSHR P16473 1/20 0.37
ADRB2 P07550 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
NPC1 O15118 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36

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
SCHEMBL79134 1.00 GAA (0.42) GAAALDH1A1LMNAMAPTMAPK1
SCHEMBL78021 0.88 POLQ (0.40) GAALMNAMAPTRAB9ACHRNB2
SCHEMBL78020 0.88 POLQ (0.40) GAALMNAMAPTRAB9ACHRNB2
SCHEMBL2169229 0.77 LMNA (0.51) ALDH1A1LMNAMAPTKMT2ARAB9A
SCHEMBL77877 0.73 LMNA (0.43) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL77393 0.71 ADRB2 (0.43) GAAALDH1A1LMNAMAPTKMT2A
SCHEMBL77872 0.71 MAPT (0.58) GAAALDH1A1LMNAMAPTMAPK1
SCHEMBL77873 0.71 MAPT (0.58) GAAALDH1A1LMNAMAPTMAPK1
SCHEMBL1913458 0.70 TSHR (0.51) GAAALDH1A1LMNAMAPTKMT2A
SCHEMBL30204989 0.68 CYP3A4 (0.48) GAAALDH1A1LMNAMAPTKMT2A

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-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
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

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 2073/4885ALDH1A1 1651/4885LMNA 3563/4885

“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.