SCHEMBL14928378

SCHEMBL14928378

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ATM Q13315 1/20 0.45
POLB P06746 2/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
ALOX12 P18054 1/20 0.41
RAB9A P51151 1/20 0.41
CES1 P23141 1/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL26344781 0.86 ADRB2 (0.48) MAPK1ADRB2ADRB1ADRB3L3MBTL1
SCHEMBL14928772 0.85 MAPK1 (0.50) MAPK1ADRB2ADRB1ADRB3L3MBTL1
SCHEMBL14928965 0.83 ADRB2 (0.50) MAPK1ADRB2ADRB1ADRB3L3MBTL1
SCHEMBL14923723 0.81 PPARG (0.46) MAPK1ADRB2ADRB1ADRB3L3MBTL1
SCHEMBL14928720 0.81 ADRB2 (0.48) MAPK1ADRB2ADRB1ADRB3L3MBTL1
SCHEMBL14928993 0.79 HDAC3 (0.47) MAPK1ADRB2ADRB1ADRB3L3MBTL1
SCHEMBL14928746 0.78 L3MBTL1 (0.56) MAPK1ADRB2ADRB1ADRB3L3MBTL1
SCHEMBL16169034 0.77 MAPK1 (0.53) MAPK1ADRB2ADRB1ADRB3L3MBTL1
SCHEMBL14929732 0.77 L3MBTL1 (0.51) MAPK1ADRB2ADRB1ADRB3L3MBTL1
SCHEMBL4809726 0.77 ALDH1A1 (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 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 (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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK MAPK1 334/4885ADRB2 1774/4885ADRB1 940/4885

“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.