SCHEMBL12166176

SCHEMBL12166176

CC(C)(C)N/[N+]([O-])=N/O[C@@H]1CCN(C(=O)NC(C)(C)c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ LMNA P02545 1/20 0.37
▸ CNR1 P21554 2/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ RBP4 P02753 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ RORC P51449 2/20 0.34
▸ SSTR4 P31391 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CHRM3 P20309 1/20 0.33

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 0.85 SMN1; SMN2 (0.44) LMNAKMT2A
SCHEMBL12166163 0.75 EPHX1 (0.40) MEN1KMT2A
SCHEMBL12166185 0.75 ALDH1A1 (0.49) GAAKMT2A
SCHEMBL12166178 0.74 SMN1; SMN2 (0.45) GAALMNAKMT2A
SCHEMBL12166171 0.73 EPHX2 (0.46) GAALMNACNR2MEN1KMT2A
SCHEMBL12166179 0.73 EPHX2 (0.37) LMNAKMT2A
SCHEMBL12166159 0.72 EPHX1 (0.33) —
SCHEMBL12166182 0.72 LMNA (0.35) LMNA
SCHEMBL15362520 0.72 RORC (0.36) LMNAMEN1KMT2ARORC
SCHEMBL12166167 0.72 BCL9 (0.32) —

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 GAA 2413/4885LMNA 578/4885CNR1 4163/4885

“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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