SCHEMBL77220

SCHEMBL77220

Nc1ccc(C(=O)NCCCN2CCOCC2)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.65
ALDH1A1 P00352 2/20 0.62
BCL3 P20749 2/20 0.62
LMNA P02545 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.56
KLK7 P49862 1/20 0.55
TSHR P16473 2/20 0.55
EPHX2 P34913 1/20 0.54
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL17678080 0.86 LMNA (0.79) KMT2AALDH1A1BCL3LMNASMN1; SMN2
SCHEMBL17706285 0.86 KMT2A (0.68) KMT2AALDH1A1BCL3LMNASMN1; SMN2
SCHEMBL17706243 0.86 KMT2A (0.65) KMT2AALDH1A1BCL3LMNASMN1; SMN2
SCHEMBL17706244 0.86 KMT2A (0.65) KMT2AALDH1A1BCL3LMNASMN1; SMN2
SCHEMBL14756465 0.84 KMT2A (0.63) KMT2AALDH1A1BCL3LMNASMN1; SMN2
SCHEMBL6109276 0.83 LMNA (0.74) KMT2AALDH1A1LMNASMN1; SMN2KLK7
SCHEMBL15250789 0.83 KMT2A (0.62) KMT2AALDH1A1BCL3LMNASMN1; SMN2
SCHEMBL15250780 0.83 KMT2A (0.62) KMT2AALDH1A1BCL3LMNASMN1; SMN2
SCHEMBL9760978 0.81 CD274 (0.64) KMT2AALDH1A1LMNA
SCHEMBL12459935 0.80 CD274 (0.79) ALDH1A1LMNASMN1; SMN2TSHRKDM4E

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 KMT2A 378/4885ALDH1A1 1651/4885BCL3 1315/4885

“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.