SCHEMBL16164366

SCHEMBL16164366

COCCn1nc(OC(F)F)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.57
CNR1 P21554 9/20 0.57
ACHE P22303 7/20 0.57
BCHE P06276 2/20 0.43
F2RL3 Q96RI0 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL19790225 0.89 CNR2 (0.62) CNR2CNR1ACHEBCHEL3MBTL1
SCHEMBL15081324 0.87 CNR2 (0.63) CNR2CNR1ACHEBCHEF2RL3
SCHEMBL15081382 0.82 CNR2 (0.58) CNR2CNR1ACHEL3MBTL1MAPT
SCHEMBL14923635 0.81 CNR2 (0.55) CNR2CNR1ACHEF2RL3L3MBTL1
SCHEMBL14923441 0.81 CNR2 (0.52) CNR2CNR1ACHEBCHEF2RL3
SCHEMBL15081472 0.80 CNR2 (0.54) CNR2CNR1ACHEF2RL3L3MBTL1
SCHEMBL15081320 0.80 CNR2 (0.43) CNR2CNR1ACHEBCHEMAPT
SCHEMBL3380069 0.79 CNR2 (0.56) CNR2CNR1ACHEF2RL3L3MBTL1
SCHEMBL15081380 0.78 CNR2 (0.52) CNR2CNR1ACHEBCHEF2RL3
SCHEMBL14923443 0.77 CNR2 (0.56) CNR2CNR1ACHEF2RL3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2799431-B1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2018-01-24 EP disclosed
CN-104024226-B Novel nicotinamide derivative or salt thereof FUJIFILM CORP. (JP) 2016-06-01 CN disclosed
US-9051310-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2015-06-09 US disclosed
US-9051310-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2015-06-09 US disclosed
EP-2799431-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM Corporation (JP) 2014-11-05 EP disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 US disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 US disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 US disclosed
CN-104024226-A Novel nicotinamide derivative or salt thereof FUJIFILM CORP 2014-09-03 CN 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-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 CNR2 1045/4885CNR1 821/4885ACHE 3135/4885

“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.