SCHEMBL14910028

SCHEMBL14910028

O=[N+]([O-])c1cnc(N2CCOCC2)c(-n2cccn2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 3/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 4/20 0.44
LMNA P02545 3/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP2C19 P33261 1/20 0.39
THRB P10828 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
SCHEMBL14910449 0.84 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9HPGDHTT
SCHEMBL3344520 0.84 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9HPGDHTT
SCHEMBL2627215 0.81 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2C9HPGDHTT
SCHEMBL3388363 0.79 HTT (0.51) ALDH1A1HTTSMN1; SMN2LMNAMAPT
SCHEMBL4675601 0.76 ALDH1A1 (0.74) ALDH1A1CYP1A2CYP2C9HPGDHTT
SCHEMBL3544112 0.75 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9HPGDHTT
SCHEMBL2145143 0.75 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9HPGDHTT
SCHEMBL3348589 0.75 ALDH1A1 (0.44) ALDH1A1HTTLMNAMAPTTDP1
SCHEMBL14910391 0.75 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2LMNAMAPT
SCHEMBL3387868 0.75 ALDH1A1 (0.44) ALDH1A1HTTMAPK1LMNAMAPT

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 15 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

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.