SCHEMBL14908753

SCHEMBL14908753

Nc1cc(N2CCOCC2)ncc1-n1nccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SMPD3 Q9NY59 1/20 0.42
KMO O15229 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
PIK3CA P42336 2/20 0.40
CYP2D6 P10635 1/20 0.40
MAP3K12 Q12852 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
ADK P55263 1/20 0.40
LRRK2 Q5S007 1/20 0.40
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 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
SCHEMBL15543262 0.79 ALDH1A1 (0.48) HTTSMN1; SMN2SMPD3KMOMAPT
SCHEMBL29745217 0.79 ALDH1A1 (0.48) HTTSMN1; SMN2SMPD3KMOMAPT
SCHEMBL14909504 0.78 EGLN2 (0.56) HTTSMN1; SMN2SMPD3MAPTALDH1A1
SCHEMBL14910307 0.75 KDM4E (0.47) SMPD3KMOMAPTALDH1A1CYP1A2
SCHEMBL21246773 0.75 CNR2 (0.52) SMN1; SMN2MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL245708 0.75 PIK3CA (0.47) HTTSMN1; SMN2SMPD3KMOMAPT
SCHEMBL246534 0.75 ALDH1A1 (0.44) HTTSMN1; SMN2SMPD3KMOMAPT
SCHEMBL14923451 0.75 GAA (0.43) SMN1; SMN2MAPTALDH1A1PIK3CAMEN1
SCHEMBL30805525 0.74 LRRK2 (0.43) HTTSMN1; SMN2SMPD3MAPTALDH1A1
Hydrochloric Acid SCHEMBL20598367 0.72 LGMN (0.44) HTTSMN1; SMN2MAPTALDH1A1CYP1A2

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
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-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
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 HTT 2347/4885SMN1; SMN2 2190/4885SMPD3 1936/4885

“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.