SCHEMBL3352755

SCHEMBL3352755

CCc1nn(C2CC2)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
CNR2 P34972 3/20 0.41
CNR1 P21554 1/20 0.41
ACHE P22303 1/20 0.41
TEAD1 P28347 1/20 0.41
TEAD4 Q15561 1/20 0.41
TEAD2 Q15562 1/20 0.41
CYP1A2 P05177 1/20 0.41
ELANE P08246 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
F2 P00734 1/20 0.37
PLAU P00749 1/20 0.37
CTRB1 P17538 1/20 0.37

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
SCHEMBL14911195 0.90 TEAD1 (0.52) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL14910849 0.83 MAPT (0.47) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL14909590 0.80 L3MBTL1 (0.41) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL3357644 0.80 L3MBTL1 (0.59) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL14923649 0.79 MAPT (0.51) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL3353700 0.77 TEAD1 (0.42) MAPTMEN1KMT2ATEAD1TEAD4
SCHEMBL14923487 0.75 CNR2 (0.53) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL26630444 0.75 SIRT2 (0.46) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL30833689 0.75 MAPT (0.45) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL29190685 0.75 MAPT (0.45) MAPTMEN1KMT2ALMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
CN-102958918-B Novel tobacco amide derivatives or its salt FUJIFILM CORP. (JP) 2015-12-09 CN disclosed
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-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-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 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
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
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
CN-102958918-A Novel nicotinamide derivatives or salts thereof FUJIFILM CORP 2013-03-06 CN 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 MAPT 4186/4885MEN1 2870/4885KMT2A 1162/4885

“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.