Sugi Predict

Sugi Predict / Compounds / SCHEMBL3379154

SCHEMBL3379154

SCHEMBL3379154

COCCOc1ncc([N+](=O)[O-])cc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ SCN9A Q15858 3/20 0.37
▸ SCN5A Q14524 2/20 0.37
▸ CNR2 P34972 3/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ OPRK1 P41145 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CCR5 P51681 1/20 0.33

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
SCHEMBL14928368 0.88 MAPT (0.39) MAPTMAPK1CNR2HSP90AA1OPRK1
SCHEMBL3344203 0.85 MEN1 (0.38) MAPTMAPK1HSP90AA1NPC1RAB9A
SCHEMBL3367001 0.85 MAPT (0.44) MAPTMAPK1HSP90AA1OPRK1LMNA
SCHEMBL8986027 0.79 LMNA (0.44) MAPTMAPK1CNR2LMNANPC1
SCHEMBL14910676 0.79 ALDH1A1 (0.42) MAPTCNR2LMNANPC1RAB9A
SCHEMBL1556607 0.78 MAPT (0.38) MAPTCNR2LMNANPC1RAB9A
SCHEMBL3375253 0.78 MAPT (0.42) MAPTLMNANPC1RAB9A
SCHEMBL19173092 0.76 LMNA (0.37) MAPTMAPK1CNR2LMNANPC1
SCHEMBL3379187 0.76 CNR2 (0.38) SCN9ASCN5ACNR2HDAC2
SCHEMBL8986078 0.76 LMNA (0.41) MAPTMAPK1LMNANPC1RAB9A

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 MAPT 4186/4885MAPK1 334/4885SCN9A 885/4885

“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.