SCHEMBL6753972

SCHEMBL6753972

CCc1nc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.64
KDM4E B2RXH2 3/20 0.62
ALDH1A1 P00352 7/20 0.57
MAPT P10636 5/20 0.57
KCNJ1 P48048 2/20 0.57
LMNA P02545 2/20 0.57
RIPK1 Q13546 3/20 0.52
PKM P14618 2/20 0.52
DDAH1 O94760 1/20 0.50
NPBWR1 P48145 1/20 0.50
HTT P42858 1/20 0.47
TDP1 Q9NUW8 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CCNT1 O60563 1/20 0.46

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
SCHEMBL8601352 0.88 KDM4E (0.80) GAAKDM4EALDH1A1MAPTKCNJ1
SCHEMBL6753969 0.88 KDM4E (0.79) GAAKDM4EALDH1A1MAPTKCNJ1
SCHEMBL7608604 0.86 KDM4E (0.67) GAAKDM4EALDH1A1MAPTKCNJ1
SCHEMBL522319 0.85 MAPT (0.57) GAAKDM4EALDH1A1MAPTKCNJ1
SCHEMBL9642123 0.85 MAPT (0.78) GAAKDM4EALDH1A1MAPTKCNJ1
SCHEMBL2321412 0.85 PKM (0.59) GAAKDM4EALDH1A1MAPTKCNJ1
SCHEMBL10379807 0.85 GAA (0.64) GAAKDM4EALDH1A1MAPTKCNJ1
SCHEMBL3304619 0.84 KCNJ1 (0.63) GAAKDM4EALDH1A1MAPTKCNJ1
SCHEMBL7332081 0.84 KDM4E (0.54) GAAKDM4EALDH1A1MAPTKCNJ1
SCHEMBL783686 0.84 KDM4E (0.64) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017064675-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH, INC. (US) 2017-04-20 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-6436982-B1 USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2002-08-20 US disclosed
US-20020072536-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2002-06-13 US disclosed
US-6403626-B1 USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2002-06-11 US disclosed
US-20020065307-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2002-05-30 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-20020065307-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 GAA 4379/4885KDM4E 1828/4885ALDH1A1 938/4885
US-20020072536-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 GAA 4317/4885KDM4E 1775/4885ALDH1A1 923/4885
US-20030022927-A1 Novel benzimidazole derivatives OPRL1, OPRD1, OPRM1 GAA 4272/4885KDM4E 2083/4885ALDH1A1 1022/4885
US-20030181730-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 GAA 4379/4885KDM4E 1828/4885ALDH1A1 938/4885

“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.