SCHEMBL14928880

SCHEMBL14928880

CC[C@@H](C)C(C)OC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.52
ADRB2 P07550 2/20 0.50
ADRB1 P08588 2/20 0.50
ADRB3 P13945 2/20 0.50
ATM Q13315 1/20 0.49
POLB P06746 2/20 0.48
MAPK1 P28482 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CES1 P23141 1/20 0.46
ALDH1A1 P00352 2/20 0.45
ALOX12 P18054 1/20 0.45
RAB9A P51151 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PKM P14618 1/20 0.44
KCNJ1 P48048 1/20 0.44
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL14928501 1.00 L3MBTL1 (0.52) L3MBTL1ADRB2ADRB1ADRB3ATM
SCHEMBL14929732 0.87 L3MBTL1 (0.51) L3MBTL1ADRB2ADRB1ADRB3ATM
SCHEMBL14923550 0.86 ADRB2 (0.48) L3MBTL1ADRB2ADRB1ADRB3ATM
SCHEMBL16169046 0.83 ADRB2 (0.46) L3MBTL1ADRB2ADRB1ADRB3ATM
SCHEMBL14928557 0.83 L3MBTL1 (0.48) L3MBTL1ADRB2ADRB1ADRB3ATM
SCHEMBL14928965 0.82 ADRB2 (0.50) L3MBTL1ADRB2ADRB1ADRB3ATM
SCHEMBL6748756 0.82 POLB (0.50) L3MBTL1ADRB2ADRB1ADRB3POLB
SCHEMBL15081351 0.82 KMT2A (0.50) L3MBTL1ADRB2ADRB1ADRB3POLB
SCHEMBL7139625 0.82 POLB (0.50) L3MBTL1ADRB2ADRB1ADRB3POLB
SCHEMBL16169043 0.81 L3MBTL1 (0.55) L3MBTL1ADRB2ADRB1ADRB3ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051310-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2015-06-09 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK L3MBTL1 4344/4885ADRB2 1774/4885ADRB1 940/4885
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 L3MBTL1 3888/4885ADRB2 1972/4885ADRB1 1007/4885

“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.