SCHEMBL76415

SCHEMBL76415

CCN(CCCN1CCOCC1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CTSD P07339 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
POLB P06746 3/20 0.39
LMNA P02545 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
PIK3CD O00329 1/20 0.38
PAOX Q6QHF9 1/20 0.37

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
SCHEMBL30621313 0.84 SMN1; SMN2 (0.46) SMN1; SMN2USP2KMT2ACTSDCTSL
SCHEMBL20688772 0.83 CTSD (0.44) NPSR1SMN1; SMN2USP2KMT2AALDH1A1
SCHEMBL16932535 0.81 NPSR1 (0.42) NPSR1SMN1; SMN2USP2KMT2AALDH1A1
SCHEMBL13980054 0.80 RECQL (0.37) SMN1; SMN2USP2KMT2ACTSDCTSL
SCHEMBL13863025 0.80 HRH3 (0.47) HRH3NPSR1SMN1; SMN2KMT2AALDH1A1
SCHEMBL2169830 0.80 HRH3 (0.47) HRH3NPSR1SMN1; SMN2KMT2AALDH1A1
SCHEMBL21574166 0.79 CTSD (0.41) NPSR1SMN1; SMN2USP2KMT2AALDH1A1
SCHEMBL14045782 0.78 SMN1; SMN2 (0.54) HRH3NPSR1SMN1; SMN2USP2KMT2A
SCHEMBL2376936 0.77 CTSD (0.46) SMN1; SMN2USP2KMT2AALDH1A1CTSD
SCHEMBL1253342 0.76 SMN1; SMN2 (0.42) SMN1; SMN2USP2KMT2ACTSDCTSL

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 HRH3 2295/4885NPSR1 4681/4885SMN1; SMN2 3379/4885

“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.