SCHEMBL77877

SCHEMBL77877

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 6/20 0.42
MAPT P10636 5/20 0.42
TDP1 Q9NUW8 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
PKM P14618 1/20 0.41
ADRB2 P07550 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PGR P06401 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HCAR3 P49019 1/20 0.36
PTGS2 P35354 1/20 0.35

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
SCHEMBL2169229 0.84 LMNA (0.51) LMNATSHRALDH1A1MAPTTDP1
SCHEMBL76546 0.82 S100B (0.37) LMNATSHRALDH1A1MAPTMEN1
SCHEMBL77393 0.78 ADRB2 (0.43) LMNATSHRALDH1A1MAPTTDP1
SCHEMBL1913458 0.76 TSHR (0.51) LMNATSHRALDH1A1MAPTTDP1
SCHEMBL79134 0.73 GAA (0.42) LMNATSHRALDH1A1MAPTTDP1
SCHEMBL79133 0.73 GAA (0.42) LMNATSHRALDH1A1MAPTTDP1
SCHEMBL28956910 0.72 TSHR (0.50) LMNATSHRALDH1A1MAPTTDP1
Hydrochloric Acid SCHEMBL27885809 0.71 TSHR (0.49) LMNATSHRALDH1A1MAPTTDP1
SCHEMBL31327401 0.71 MAPT (0.61) LMNATSHRALDH1A1MAPTTDP1
SCHEMBL976044 0.71 MAPT (0.61) LMNATSHRALDH1A1MAPTTDP1

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 LMNA 3563/4885TSHR 2985/4885ALDH1A1 1651/4885

“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.