SCHEMBL14928772

SCHEMBL14928772

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
ADRB2 P07550 2/20 0.49
ADRB1 P08588 2/20 0.49
ADRB3 P13945 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 2/20 0.47
ALOX12 P18054 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 2/20 0.46
ATM Q13315 1/20 0.45
CES1 P23141 1/20 0.45
MAOB P27338 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKM P14618 1/20 0.43
KCNJ1 P48048 1/20 0.43

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
SCHEMBL14928965 0.87 ADRB2 (0.50) MAPK1ADRB2ADRB1ADRB3L3MBTL1
SCHEMBL20370153 0.87 ADRB2 (0.52) MAPK1ADRB2ADRB1ADRB3L3MBTL1
SCHEMBL14928378 0.85 MAPK1 (0.46) MAPK1ADRB2ADRB1ADRB3L3MBTL1
SCHEMBL14928720 0.84 ADRB2 (0.48) MAPK1ADRB2ADRB1ADRB3L3MBTL1
SCHEMBL26344781 0.84 ADRB2 (0.48) MAPK1ADRB2ADRB1ADRB3L3MBTL1
SCHEMBL14928993 0.82 HDAC3 (0.47) MAPK1ADRB2ADRB1ADRB3L3MBTL1
SCHEMBL14928746 0.81 L3MBTL1 (0.56) MAPK1ADRB2ADRB1ADRB3L3MBTL1
SCHEMBL16169034 0.80 MAPK1 (0.53) MAPK1ADRB2ADRB1ADRB3L3MBTL1
SCHEMBL716670 0.80 MAPT (0.47) MAPK1ALDH1A1RAB9AKMT2AMAPT
SCHEMBL14929732 0.80 L3MBTL1 (0.51) MAPK1ADRB2ADRB1ADRB3L3MBTL1

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 MAPK1 334/4885ADRB2 1774/4885ADRB1 940/4885
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 MAPK1 129/4885ADRB2 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.