SCHEMBL3356597

SCHEMBL3356597

COCCOc1ncc([N+](=O)[O-])cc1N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 3/20 0.43
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
PAX8 Q06710 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM1A O60341 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
SCHEMBL14928362 0.89 MAPT (0.48) ALDH1A1CYP1A2CYP2C9HPGDKMT2A
SCHEMBL14910845 0.87 LMNA (0.51) ALDH1A1CYP1A2CYP2C9HPGDKMT2A
SCHEMBL10076887 0.87 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL3355188 0.79 KDM1A (0.44) CYP1A2MAPTRAF1BRAFSMN1; SMN2
SCHEMBL15081387 0.78 CNR2 (0.34) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL12525222 0.78 KMT2A (0.54) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL14909672 0.74 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL14909674 0.74 LMNA (0.36) ALDH1A1KMT2AMEN1CYP2C19LMNA
SCHEMBL14910676 0.74 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL8986027 0.74 LMNA (0.44) ALDH1A1KMT2AMEN1MAPTNPC1

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
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-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
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 ALDH1A1 1638/4885CYP1A2 4413/4885CYP2C9 4459/4885

“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.