SCHEMBL77086

SCHEMBL77086

CC(C)(C)OC(=O)N1CCCCC1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.59
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
RAB9A P51151 3/20 0.52
MAPT P10636 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
JAK2 O60674 2/20 0.49
USP30 Q70CQ3 1/20 0.45
ALDH1A1 P00352 3/20 0.45
HDAC8 Q9BY41 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
JAK3 P52333 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
HTT P42858 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL77087 1.00 NPC1 (0.59) NPC1MEN1KMT2ALMNANPSR1
SCHEMBL79144 0.86 MAPT (0.57) NPC1MEN1KMT2ALMNANPSR1
SCHEMBL79145 0.86 MAPT (0.57) NPC1MEN1KMT2ALMNANPSR1
SCHEMBL29006896 0.83 NPC1 (0.72) NPC1MEN1KMT2ALMNANPSR1
SCHEMBL77873 0.82 MAPT (0.58) NPC1MEN1KMT2ALMNARAB9A
SCHEMBL77872 0.82 MAPT (0.58) NPC1MEN1KMT2ALMNARAB9A
SCHEMBL30204406 0.81 LMNA (0.61) NPC1MEN1KMT2ALMNANPSR1
SCHEMBL17474785 0.81 NPC1 (0.75) NPC1MEN1KMT2ALMNANPSR1
SCHEMBL17474789 0.81 NPC1 (0.75) NPC1MEN1KMT2ALMNANPSR1
SCHEMBL31148235 0.79 NPC1 (0.72) NPC1MEN1KMT2ALMNANPSR1

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 NPC1 4385/4885MEN1 3485/4885KMT2A 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.