Sugi Predict

Sugi Predict / Compounds / SCHEMBL3377453

SCHEMBL3377453

SCHEMBL3377453

CCOc1ncc([N+](=O)[O-])cc1I

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ MAPT P10636 7/20 0.40
▸ POLB P06746 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL14988555 0.83 KMT2A (0.47) KMT2AMEN1LMNAHTTMAPT
SCHEMBL3378265 0.82 MAPT (0.44) KMT2AMEN1HTTMAPTPOLB
SCHEMBL14923663 0.81 MAPT (0.47) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL3355225 0.81 KMT2A (0.41) KMT2AMEN1HTTMAPTPOLB
SCHEMBL14831812 0.79 HTT (0.45) KMT2AMEN1LMNAHTTMAPT
SCHEMBL16078798 0.78 MAPT (0.40) KMT2AMEN1LMNAHTTMAPT
SCHEMBL2403880 0.78 PIN1 (0.50) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL3586448 0.77 AKR1B1 (0.47) KMT2AMEN1HTTMAPTPOLB
SCHEMBL12113212 0.77 L3MBTL1 (0.45) KMT2AMEN1HTTMAPTPOLB
SCHEMBL16047686 0.77 ALDH1A1 (0.57) KMT2AMEN1LMNAHTTMAPT

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 14 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
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 KMT2A 1162/4885MEN1 2870/4885LMNA 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.