Sugi Predict

Sugi Predict / Compounds / SCHEMBL14909672

SCHEMBL14909672

SCHEMBL14909672

COCCOc1ncc([N+](=O)[O-])cc1-n1cccn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.40
▸ MEN1 O00255 8/20 0.40
▸ KMT2A Q03164 8/20 0.40
▸ MAPT P10636 7/20 0.40
▸ LMNA P02545 5/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ USP1 O94782 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ PKM P14618 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
SCHEMBL14928338 0.89 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL15081397 0.87 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL14909674 0.84 LMNA (0.36) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL15081387 0.83 CNR2 (0.34) ALDH1A1MAPTLMNARAB9AHTT
SCHEMBL14909718 0.79 TDO2 (0.38) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL3387868 0.77 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL3348589 0.75 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL14910391 0.75 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL3356597 0.74 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL14910676 0.74 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPTLMNA

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 12 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

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 1638/4885MEN1 2870/4885KMT2A 1162/4885

“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.