SCHEMBL76730

SCHEMBL76730

Nc1cc(Cn2ccnc2)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
CYP19A1 P11511 10/20 0.62
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP11B1 P15538 7/20 0.54
CYP11B2 P19099 7/20 0.54
KMT2A Q03164 1/20 0.49
CYP2A6 P11509 1/20 0.48
CYP2B6 P20813 1/20 0.48
TBXAS1 P24557 1/20 0.47

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
SCHEMBL77675 0.84 ALDH1A1 (0.64) ALDH1A1CYP19A1LMNASMN1; SMN2CYP11B1
SCHEMBL9527373 0.81 ALDH1A1 (0.67) ALDH1A1CYP19A1LMNASMN1; SMN2CYP11B1
SCHEMBL9523331 0.81 ALDH1A1 (0.67) ALDH1A1CYP19A1LMNASMN1; SMN2CYP11B1
SCHEMBL10581105 0.81 ALDH1A1 (0.63) ALDH1A1CYP19A1LMNASMN1; SMN2CYP11B1
SCHEMBL9523915 0.81 ALDH1A1 (0.82) ALDH1A1CYP19A1LMNASMN1; SMN2CYP11B1
SCHEMBL9664212 0.80 CYP19A1 (0.60) ALDH1A1CYP19A1LMNASMN1; SMN2CYP11B1
SCHEMBL79024 0.79 CYP11B1 (0.67) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL9665076 0.79 ALDH1A1 (0.61) ALDH1A1CYP19A1LMNASMN1; SMN2CYP11B1
SCHEMBL10579958 0.78 ALDH1A1 (0.67) ALDH1A1CYP19A1LMNASMN1; SMN2CYP11B1
SCHEMBL9663781 0.78 ALDH1A1 (0.54) ALDH1A1CYP19A1LMNASMN1; SMN2CYP11B1

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 ALDH1A1 1651/4885CYP19A1 3796/4885LMNA 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.