SCHEMBL14908786

SCHEMBL14908786

CCOCCOCCOc1ccc2cc(N)ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 15/20 0.57
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
CASP6 P55212 1/20 0.45
PLAU P00749 1/20 0.44
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL14909453 0.99 NCF1 (0.58) NCF1KDM4ELMNAPOLBCASP6
SCHEMBL3368614 0.90 NCF1 (0.56) NCF1KDM4ELMNAPOLBALDH1A1
SCHEMBL14910388 0.89 NCF1 (0.49) NCF1KDM4ELMNAPOLBCASP6
SCHEMBL14910398 0.89 NCF1 (0.49) NCF1KDM4ELMNAPOLBCASP6
SCHEMBL10076373 0.89 NCF1 (0.48) NCF1KDM4ELMNAPOLBCASP6
SCHEMBL14909978 0.85 TLR8 (0.51) NCF1KDM4ELMNAPOLBCASP6
SCHEMBL14909222 0.85 LMNA (0.53) NCF1KDM4ELMNAPOLBCASP6
SCHEMBL14909459 0.84 KDM4E (0.49) NCF1KDM4ELMNAPOLBCASP6
SCHEMBL22926872 0.84 TLR8 (0.52) NCF1KDM4ELMNAPOLBCASP6
SCHEMBL14910855 0.83 ALDH1A1 (0.43) NCF1KDM4ELMNAPOLBCASP6

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 NCF1 288/4885KDM4E 2420/4885LMNA 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.