SCHEMBL11909258

SCHEMBL11909258

COCNC(=O)c1ccc(B(O)O)cc1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.36
BRAF P15056 1/20 0.35
LMNA P02545 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAPK1 P28482 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
CNR2 P34972 1/20 0.33
HPGD P15428 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL29954265 0.84 LMNA (0.42) ESRRGLMNAKMT2AHDAC1HDAC7
SCHEMBL16096308 0.82 ALDH1A1 (0.43) LMNALOXL2MEN1KMT2AHDAC1
SCHEMBL3983398 0.81 L3MBTL1 (0.49) ESRRGMEN1KMT2AHPGDTMEM97
SCHEMBL29954315 0.81 MAP2K1 (0.43) HDAC1
SCHEMBL13644472 0.79 MAOB (0.41) ESRRGLMNAMEN1KMT2ATMEM97
SCHEMBL3682591 0.79 LMNA (0.51) LMNAKMT2ACNR2HPGD
SCHEMBL14743123 0.79 MAP2K2 (0.47) ESRRGMEN1KMT2AHPGDTMEM97
SCHEMBL29125458 0.79 TSHR (0.40) LMNAMAPK1KMT2AHDAC1HDAC7
SCHEMBL15798271 0.79 HDAC6 (0.46) LMNAHDAC6HDAC1
SCHEMBL29955902 0.79 HTT (0.53) LMNAHDAC1HPGDTMEM97SIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9217000-B2 Targeted nitroxide agents Univerisyt of Pittsburgh—of the Commonwealth System of Higher Education (US) 2015-12-22 US disclosed
US-20140018317-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-01-16 US disclosed
US-20120207687-A1 TOPICAL FORMULATIONS OF TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2012-08-16 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 (2 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-20120207687-A1 TOPICAL FORMULATIONS OF TARGETED NITROXIDE AGENTS NOX1, OGG1, NOX5 ESRRG 1243/4885BRAF 2376/4885LMNA 2306/4885
US-20140018317-A1 TARGETED NITROXIDE AGENTS NOXO1, NOX1, TPX2 ESRRG 188/4885BRAF 876/4885LMNA 2142/4885

“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.