SCHEMBL77873

SCHEMBL77873

CN1CCCCC1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
RAB9A P51151 5/20 0.58
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
PARP1 P09874 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41

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
SCHEMBL77872 1.00 MAPT (0.58) MAPTRAB9AKMT2AMEN1NPC1
SCHEMBL79301 0.86 ALDH1A1 (0.52) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL76416 0.86 ALDH1A1 (0.52) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL76417 0.86 ALDH1A1 (0.52) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL79144 0.85 MAPT (0.57) MAPTRAB9AKMT2AMEN1NPC1
SCHEMBL79145 0.85 MAPT (0.57) MAPTRAB9AKMT2AMEN1NPC1
SCHEMBL77087 0.82 NPC1 (0.59) MAPTRAB9AKMT2AMEN1NPC1
SCHEMBL77086 0.82 NPC1 (0.59) MAPTRAB9AKMT2AMEN1NPC1
SCHEMBL30204425 0.82 L3MBTL1 (0.47) MAPTKMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL915382 0.79 KMT2A (0.59) MAPTRAB9AKMT2AMEN1NPC1

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 MAPT 3439/4885RAB9A 3879/4885KMT2A 378/4885

“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.