Sugi Predict

Sugi Predict / Compounds / SCHEMBL62412

SCHEMBL62412

SCHEMBL62412

O=[N+]([O-])c1ccc(C=Cc2ccncc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 1.00
▸ NPC1 O15118 3/20 1.00
▸ RAB9A P51151 3/20 1.00
▸ APP P05067 1/20 0.62
▸ FBP1 P09467 1/20 0.60
▸ PTGS2 P35354 6/20 0.58
▸ PTGS1 P23219 2/20 0.58
▸ CYP19A1 P11511 2/20 0.58
▸ POLB P06746 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ MAPK1 P28482 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ LMNA P02545 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ HPGD P15428 1/20 0.48

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
SCHEMBL62411 1.00 MAPT (1.00) MAPTNPC1RAB9AAPPFBP1
SCHEMBL28018804 0.88 MAPT (0.79) MAPTNPC1RAB9AAPPFBP1
SCHEMBL9170804 0.87 APP (0.78) MAPTNPC1RAB9AAPPFBP1
SCHEMBL14947048 0.87 APP (0.78) MAPTNPC1RAB9AAPPFBP1
SCHEMBL458178 0.87 APP (0.78) MAPTNPC1RAB9AAPPFBP1
SCHEMBL458177 0.87 APP (0.78) MAPTNPC1RAB9AAPPFBP1
SCHEMBL9170800 0.87 APP (0.78) MAPTNPC1RAB9AAPPFBP1
SCHEMBL10495657 0.84 MAPT (0.72) MAPTNPC1RAB9AAPPFBP1
SCHEMBL10495651 0.84 MAPT (0.72) MAPTNPC1RAB9AAPPFBP1
SCHEMBL11375977 0.81 APP (0.69) MAPTNPC1RAB9AAPPFBP1

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459736-B1 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES BIOMERIEUX SA (FR) 2014-10-29 — — EP claimed
US-8535903-B2 Nitroreductase enzymatic substrates BIOMERIEUX, S.A. 2013-09-17 — — US claimed
EP-2459736-A2 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES Biomérieux (FR) 2012-06-06 — — EP claimed
US-20120129205-A1 Novel Nitroreductase Enzymatic Substrates BIOMERIEUX (FR) 2012-05-24 — — US claimed
WO-2011012823-A2 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES bioMérieux (FR) 2011-02-03 — — WO claimed
US-10300155-B2 Alpha-synuclein ligands WASHINGTON UNIVERSITY (US) 2019-05-28 — — US disclosed
US-10300155-B2 Alpha-synuclein ligands WASHINGTON UNIVERSITY (US) 2019-05-28 — — US disclosed
EP-3354646-A1 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Celgene Corporation (US) 2018-08-01 — — EP disclosed
EP-2985281-B1 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CELGENE CORP (US) 2017-12-27 — — EP disclosed
US-9796698-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2017-10-24 — — US disclosed
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS WASHINGTON UNIVERSITY (US) 2017-07-06 — — US disclosed
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS WASHINGTON UNIVERSITY (US) 2017-07-06 — — US disclosed
US-20050209261-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2005-09-22 — — US disclosed
US-6943172-B2 Rho-kinase inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-13 — — US disclosed
US-20050192304-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2005-09-01 — — US disclosed
US-6924290-B2 Rho-kinase inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2005-08-02 — — US disclosed
US-20040002508-A1 Antitumor agents; anticancer agents; sexual disorders; cardiovascular disorders BAYER CORPORATION 2004-01-01 — — US disclosed
US-20040002507-A1 Rho-kinase inhibitors BAYER CORPORATION (US) 2004-01-01 — — US disclosed
CN-1069491-A 2-(piperidines-1-yl) alcohol derivative, its method for making and treatment thereof are used SYNTHELABO (FR) 1993-03-03 — — CN disclosed
EP-0524846-A1 2-(Piperidin-1-yl)ethanol derivatives, their preparation and their use in therapeutics SYNTHELABO (FR) 1993-01-27 — — 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 (7 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-20040002507-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 MAPT 1689/4885NPC1 3257/4885RAB9A 272/4885
US-20120129205-A1 Novel Nitroreductase Enzymatic Substrates CBR1, CBR3, POR MAPT 4873/4885NPC1 1602/4885RAB9A 4670/4885
US-10300155-B2 Alpha-synuclein ligands SNCA, PARK7, LRRK2 MAPT 58/4885NPC1 382/4885RAB9A 152/4885
US-20050209261-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 MAPT 1689/4885NPC1 3257/4885RAB9A 272/4885
US-20040002508-A1 Antitumor agents; anticancer agents; sexual disorders; cardiovascular disorders CIT, ROCK1, RHOT2 MAPT 3152/4885NPC1 3489/4885RAB9A 189/4885
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS SNCA, PARK7, LRRK2 MAPT 58/4885NPC1 382/4885RAB9A 152/4885
US-20050192304-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 MAPT 1689/4885NPC1 3257/4885RAB9A 272/4885

“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.