SCHEMBL930847

SCHEMBL930847

CNc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.65
CYP1A2 P05177 1/20 0.65
KMT2A Q03164 9/20 0.60
MEN1 O00255 8/20 0.60
MAPT P10636 7/20 0.60
LMNA P02545 3/20 0.60
ALOX12 P18054 1/20 0.57
RAB9A P51151 8/20 0.56
NPC1 O15118 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
POLB P06746 1/20 0.55
PABPC1 P11940 1/20 0.54
PKM P14618 1/20 0.54
ALDH1A1 P00352 4/20 0.53
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL20796131 0.84 MEN1 (0.74) GAACYP1A2KMT2AMEN1MAPT
SCHEMBL3943376 0.82 MEN1 (0.62) GAACYP1A2KMT2AMEN1MAPT
SCHEMBL31503950 0.81 KMT2A (0.60) GAACYP1A2KMT2AMEN1MAPT
SCHEMBL8503181 0.81 KMT2A (0.60) GAACYP1A2KMT2AMEN1MAPT
SCHEMBL13545245 0.81 HCAR3 (0.50) GAACYP1A2KMT2AMEN1MAPT
SCHEMBL8503182 0.81 KMT2A (0.60) GAACYP1A2KMT2AMEN1MAPT
SCHEMBL18469873 0.81 KMT2A (0.60) GAACYP1A2KMT2AMEN1MAPT
SCHEMBL5528679 0.81 GAA (0.65) GAACYP1A2KMT2AMEN1MAPT
SCHEMBL1446574 0.81 KMT2A (0.60) GAACYP1A2KMT2AMEN1MAPT
SCHEMBL9143702 0.80 SMN1; SMN2 (0.63) GAACYP1A2KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9533983-B2 Antiplatelet agent MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-03 US disclosed
EP-2518066-B1 NOVEL ANTI-PLATELET AGENT MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-18 EP disclosed
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
CN-104910148-A Aminotriazolopyridines and use thereof as kinase inhibitors SIGNAL PHARM LLC 2015-09-16 CN disclosed
CN-102203093-B Aminotriazolopyridines and their use as kinase inhibitors SIGNAL PHARM LLC 2015-05-13 CN disclosed
US-20140194407-A1 NOVEL ANTIPLATELET AGENT MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-07-10 US disclosed
US-20140194407-A1 NOVEL ANTIPLATELET AGENT MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-07-10 US disclosed
US-8703760-B2 Antiplatelet agent MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-04-22 US disclosed
US-8703760-B2 Antiplatelet agent MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-04-22 US disclosed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US disclosed
EP-1673355-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS Pfizer Limited (GB) 2006-06-28 EP disclosed
WO-2005028452-A9 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LTD (GB) 2005-07-21 WO disclosed
WO-2005028452-A9 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LTD (GB) 2005-07-21 WO disclosed
US-20050107382-A1 e.g. 2-(4-fluoro-2-methylphenyl)-5-(5-methoxymethyl-4-(6-methoxypyridin-3-yl)-4H-[1,2,4]triazol-3-yl)-pyridine; treatment of arousal disorder, orgasmic disorder, sexual pain disorder and premature ejaculation, preterm labor, appetite and feeding disorders, dysmenorrhoea, congestive heart failure, etc. PFIZER INC. 2005-05-19 US disclosed
WO-2005028452-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2005-03-31 WO disclosed
EP-0601302-B1 Hair dyeing composition containing 3-pyridinazo dyes and novel 3-pyridazo dyes WELLA AG (DE) 1996-07-10 EP disclosed
US-5371086-A Circulatory disorders side effect reduction THE GREEN CROSS CORPORATION (JP) 1994-12-06 US disclosed
EP-0601302-A1 Hair dyeing composition containing 3-pyridinazo dyes and novel 3-pyridazo dyes Wella Aktiengesellschaft (DE) 1994-06-15 EP disclosed
US-5262415-A FOR TREATING DISEASES OF THE CIRCULATORY SYSTEM THE GREEN CROSS CORPORATION (JP) 1993-11-16 US disclosed
EP-0503627-A1 Aminopyridine compounds THE GREEN CROSS CORPORATION (JP) 1992-09-16 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 (3 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-20140194407-A1 NOVEL ANTIPLATELET AGENT F12, TBXA2R, F11 GAA 4444/4885CYP1A2 850/4885KMT2A 3462/4885
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 GAA 3490/4885CYP1A2 654/4885KMT2A 569/4885
US-20050107382-A1 e.g. 2-(4-fluoro-2-methylphenyl)-5-(5-methoxymethyl-4-(6-methoxypyridin-3-yl)-4H-[1,2,4]triazol-3-yl)-pyridine; treatment of arousal disorder, orgasmic disorder, sexual pain disorder and premature ejaculation, preterm labor, appetite and feeding disorders, dysmenorrhoea, congestive heart failure, etc. OXTR, OPRL1, NPY4R GAA 3939/4885CYP1A2 989/4885KMT2A 3915/4885

“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.