SCHEMBL14909623

SCHEMBL14909623

Cc1nccn1-c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
ALDH1A1 P00352 5/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
NOS1 P29475 1/20 0.46
ATM Q13315 2/20 0.46
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSP90AA1 P07900 1/20 0.41
CXCR5 P32302 1/20 0.41
APLNR P35414 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
SCHEMBL9802632 0.82 MAPT (0.51) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL2048930 0.80 ALDH1A1 (0.57) MAPTALDH1A1POLBCYP1A2CYP2C9
SCHEMBL29205322 0.78 MAPT (0.50) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL29205318 0.76 MAPT (0.51) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL15973849 0.75 NOS1 (0.55) MAPTALDH1A1LMNAPOLBL3MBTL1
SCHEMBL3604533 0.75 CYP3A4 (0.49) ALDH1A1LMNAL3MBTL1CYP1A2CYP2C9
SCHEMBL85643 0.73 MEN1 (0.52) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL17336469 0.72 MAPT (0.60) MAPT
SCHEMBL3836024 0.72 ALDH1A1 (0.56) MAPTALDH1A1LMNANPSR1POLB
SCHEMBL3745779 0.72 CYP3A4 (0.46) MAPTALDH1A1LMNAL3MBTL1CYP1A2

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 13 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
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

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 4186/4885ALDH1A1 1638/4885LMNA 3649/4885

“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.