SCHEMBL3377199

SCHEMBL3377199

CCc1nn(CC(F)F)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.46
CNR1 P21554 6/20 0.46
ACHE P22303 6/20 0.46
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.40
ELANE P08246 2/20 0.38
F2RL3 Q96RI0 2/20 0.38
F2R P25116 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAD52 P43351 1/20 0.38
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
CTRB1 P17538 1/20 0.38

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
SCHEMBL14923442 0.90 CNR2 (0.47) CNR2CNR1ACHEMAPTMEN1
SCHEMBL14923649 0.85 MAPT (0.51) CNR2CNR1ACHEMAPTMEN1
SCHEMBL14923487 0.85 CNR2 (0.53) CNR2CNR1ACHEMAPTMEN1
SCHEMBL14923501 0.85 MAPT (0.45) CNR2CNR1ACHEMAPTMEN1
SCHEMBL14908669 0.84 CNR2 (0.44) CNR2CNR1ACHEMAPTMEN1
SCHEMBL28483269 0.82 CNR2 (0.42) CNR2CNR1ACHEMAPTMEN1
SCHEMBL30695536 0.82 CNR2 (0.42) CNR2CNR1ACHEMAPTMEN1
SCHEMBL15081218 0.81 CNR2 (0.53) CNR2CNR1ACHEMAPTMEN1
SCHEMBL3380069 0.79 CNR2 (0.56) CNR2CNR1ACHEMAPTMEN1
SCHEMBL3357644 0.79 L3MBTL1 (0.59) CNR2CNR1ACHEMAPTMEN1

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
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 WO 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.