SCHEMBL77393

SCHEMBL77393

CCN(C(=O)OC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.43
LMNA P02545 3/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 7/20 0.40
MAPT P10636 5/20 0.40
TDP1 Q9NUW8 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
RECQL P46063 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
S1PR4 O95977 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
SCHEMBL22897646 0.85 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL25877847 0.85 ALDH1A1 (0.39) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL15156657 0.83 NR1D1 (0.43) ADRB2LMNATSHRALDH1A1MAPT
SCHEMBL22897818 0.82 ALDH1A1 (0.35) LMNAALDH1A1MAPTTDP1MEN1
SCHEMBL6081269 0.82 ALDH1A1 (0.57) LMNATSHRALDH1A1MAPTTDP1
SCHEMBL2169229 0.82 LMNA (0.51) ADRB2LMNATSHRALDH1A1MAPT
SCHEMBL25877846 0.79 MAPT (0.38) LMNATSHRALDH1A1MAPTTDP1
SCHEMBL77877 0.78 LMNA (0.43) ADRB2LMNATSHRALDH1A1MAPT
SCHEMBL29561041 0.76 ALDH1A1 (0.38) TSHRALDH1A1MAPTTDP1CYP3A4
SCHEMBL22897645 0.76 ALDH1A1 (0.38) TSHRALDH1A1MAPTTDP1CYP3A4

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 ADRB2 2554/4885LMNA 3563/4885TSHR 2985/4885

“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.