SCHEMBL6753969

SCHEMBL6753969

CCc1nc2ccc([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.79
ALDH1A1 P00352 5/20 0.74
MAPT P10636 5/20 0.74
KCNJ1 P48048 2/20 0.74
LMNA P02545 2/20 0.74
RIPK1 Q13546 4/20 0.67
PKM P14618 2/20 0.67
GAA P10253 1/20 0.64
NPBWR1 P48145 4/20 0.64
TDP1 Q9NUW8 2/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CCNT1 O60563 1/20 0.59
CDK9 P50750 1/20 0.59
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
HTT P42858 2/20 0.58
MMP2 P08253 1/20 0.58
MMP9 P14780 1/20 0.58
MMP8 P22894 1/20 0.58

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
SCHEMBL8601357 0.88 KDM4E (1.00) KDM4EALDH1A1MAPTKCNJ1LMNA
SCHEMBL6753972 0.88 GAA (0.64) KDM4EALDH1A1MAPTKCNJ1LMNA
SCHEMBL18459774 0.86 MAPT (0.76) KDM4EALDH1A1MAPTKCNJ1LMNA
SCHEMBL7608611 0.86 KDM4E (0.85) KDM4EALDH1A1MAPTKCNJ1LMNA
SCHEMBL9642133 0.85 MAPT (1.00) KDM4EALDH1A1MAPTKCNJ1LMNA
SCHEMBL16061454 0.85 MAPT (0.74) KDM4EALDH1A1MAPTKCNJ1LMNA
SCHEMBL18426060 0.85 MAPT (0.74) KDM4EALDH1A1MAPTKCNJ1LMNA
SCHEMBL521103 0.85 PKM (0.75) KDM4EALDH1A1MAPTKCNJ1LMNA
SCHEMBL1539990 0.85 ALDH1A1 (0.74) KDM4EALDH1A1MAPTKCNJ1LMNA
SCHEMBL28439013 0.85 KDM4E (0.70) KDM4EALDH1A1MAPTKCNJ1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154976-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2019-07-24 EP disclosed
US-10100064-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2018-10-16 US disclosed
WO-2017153952-A1 5-SULFAMOYL-2-HYDROXYBENZAMIDE DERIVATIVES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-09-14 WO disclosed
US-20170114078-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP DOHME CORP. (US) 2017-04-27 US disclosed
WO-2015188369-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2015-12-17 WO disclosed
US-6712262-B2 BENZIMIDAZOLE AND IODINE COMPOUNDS TAMURAKAKEN CORPORATION (JP) 2004-03-30 US disclosed
US-20030181730-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2003-09-25 US disclosed
US-20030141351-A1 Water-soluble preflux, printed circuit board, and process for treating the surface of a metal in a printed circuit board TAMURA CORPORATION (JP) 2003-07-31 US disclosed
US-20030022927-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2003-01-30 US disclosed
US-6495583-B1 DRUG FOR TREATING AN ALPHA-2 ADRENERGIC RECEPTOR ASSOCIATED DISORDER, NASAL CONGENSTION AND ALLEVIATING PAIN SYNAPTIC PHARMACEUTICAL CORPORATION 2002-12-17 US disclosed
US-6316637-B1 SELECTIVE FOR CLONED HUMAN ALPHA 2 RECEPTORS AND ARE USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-11-13 US disclosed
US-5874501-A POLY(P-HYDROXYSTYRENE) WITH AROMATIC MOIETY AND ALIPHATIC MOIETY WITH INORGANIC OXIDE KEEHAN DONALD J (US) 1999-02-23 US disclosed
US-5735973-A BENZIMIDAZOLE COMPOUND; PROTECTION FROM OXIDATION AND RUST TAMURA KAKEN CORPORATION (JP) 1998-04-07 US disclosed
EP-0407554-B1 METALLIC OXIDE-OXIRANE POLYMERS AND PREPOLYMERS KEEHAN DONALD J (US) 1997-09-17 EP disclosed
EP-0775134-A4 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMA CORP (US) 1997-08-13 EP disclosed
EP-0775134-A1 Imidazolin-2-ylaminobenzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-05-28 EP disclosed
WO-1996004270-A1 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-02-15 WO disclosed
US-5169912-A Hydrolyzable oxygen bonding with epoxide; silica, titania; high performance coatings, adhesives KEEHAN DONALD J (US) 1992-12-08 US disclosed
US-5026816-A Reaction product of diglycidyl ether of (bisphenol a or resorcinol) with metallic oxide in presence of imidazole catalyst KEEHAN DONALD J (US) 1991-06-25 US disclosed
US-4880892-A PHOSPHONIUM OR PHOSPHORANE CATALYST, PROTECTIVE COATINGS CIBA-GEIGY CORPORATION (US) 1989-11-14 US 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 (4 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-20170114078-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA KDM4E 4265/4885ALDH1A1 2469/4885MAPT 4642/4885
US-20030022927-A1 Novel benzimidazole derivatives OPRL1, OPRD1, OPRM1 KDM4E 2083/4885ALDH1A1 1022/4885MAPT 4207/4885
US-10100064-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA KDM4E 4265/4885ALDH1A1 2469/4885MAPT 4642/4885
US-20030181730-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 KDM4E 1828/4885ALDH1A1 938/4885MAPT 4094/4885

“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.