SCHEMBL12166178

SCHEMBL12166178

CC(C)(C)NC(=O)N1CCCC(O/N=[N+](\[O-])NC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ POLB P06746 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ CSNK1E P49674 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL12166174 0.88 SMN1; SMN2 (0.44) SMN1; SMN2LMNAPOLBKMT2A
SCHEMBL12166179 0.82 EPHX2 (0.37) SMN1; SMN2LMNAPOLBKMT2A
SCHEMBL12166182 0.81 LMNA (0.35) SMN1; SMN2LMNA
SCHEMBL12166188 0.81 RECQL (0.46) SMN1; SMN2LMNAPOLBKMT2AGAA
SCHEMBL12166158 0.79 EPHX1 (0.44) SMN1; SMN2LMNAKDM4E
SCHEMBL12166159 0.77 EPHX1 (0.33) SMN1; SMN2
SCHEMBL18754650 0.75 SMN1; SMN2 (0.55) SMN1; SMN2LMNAPOLBDPP4CSNK1E
SCHEMBL12166176 0.74 GAA (0.40) LMNAKMT2AGAA
SCHEMBL15362522 0.74 SMN1; SMN2 (0.42) SMN1; SMN2LMNAPOLBKDM4E
SCHEMBL12166171 0.73 EPHX2 (0.46) LMNAKMT2AGAA

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-8361994-B2 Primary amine diazeniumdiolate heterocyclic derivatives MERCK SHARP & DOHME CORP (US) 2013-01-29 — — US disclosed
US-20120232039-A1 PRIMARY AMINE DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME LLC 2012-09-13 — — 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-20120232039-A1 PRIMARY AMINE DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES EDNRA, PAH, EDNRB SMN1; SMN2 3116/4885LMNA 578/4885POLB 2426/4885

“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.

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