SCHEMBL14923447

SCHEMBL14923447

Cc1nn(CCF)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.52
CNR1 P21554 5/20 0.52
ACHE P22303 5/20 0.52
MAPT P10636 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.45
GLS O94925 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42

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
SCHEMBL3380035 0.89 KMO (0.44) CNR2CNR1ACHEMAPTL3MBTL1
SCHEMBL30615548 0.88 MAPT (0.53) CNR2CNR1ACHEMAPTL3MBTL1
SCHEMBL28495928 0.88 MAPT (0.53) CNR2CNR1ACHEMAPTL3MBTL1
SCHEMBL264907 0.86 ADORA2A (0.54) CNR2CNR1ACHEMAPTL3MBTL1
SCHEMBL14923635 0.85 CNR2 (0.55) CNR2CNR1ACHEMAPTL3MBTL1
SCHEMBL14923632 0.84 CNR2 (0.50) CNR2CNR1ACHEMAPTL3MBTL1
SCHEMBL14923487 0.84 CNR2 (0.53) CNR2CNR1ACHEMAPTL3MBTL1
SCHEMBL14923501 0.84 MAPT (0.45) CNR2CNR1ACHEMAPTL3MBTL1
SCHEMBL30615360 0.82 CNR2 (0.52) CNR2CNR1ACHEMAPTL3MBTL1
SCHEMBL28496722 0.82 CNR2 (0.52) CNR2CNR1ACHEMAPTL3MBTL1

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 7 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-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 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
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP 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 CNR2 305/4885CNR1 273/4885ACHE 4592/4885

“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.