SCHEMBL103245

SCHEMBL103245

O=[N+]([O-])c1ccccc1NCCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
PKM P14618 2/20 0.63
MAPT P10636 7/20 0.62
RAB9A P51151 4/20 0.62
NPC1 O15118 4/20 0.62
KAT2B Q92831 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
GAA P10253 1/20 0.60
MEN1 O00255 1/20 0.59
RECQL P46063 1/20 0.59
POLB P06746 1/20 0.57
HTR6 P50406 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL8150179 0.91 MAPT (0.58) KMT2APKMMAPTRAB9ANPC1
SCHEMBL19278391 0.88 ALDH1A1 (0.56) KMT2APKMMAPTRAB9ANPC1
SCHEMBL6198859 0.86 KAT2B (0.80) KMT2AMAPTRAB9ANPC1KAT2B
SCHEMBL4936233 0.84 MAPT (0.56) KMT2APKMMAPTRAB9ANPC1
SCHEMBL3400808 0.84 SMN1; SMN2 (0.70) KMT2APKMMAPTRAB9ANPC1
SCHEMBL102602 0.83 MAPT (0.77) KMT2AMAPTRAB9ANPC1KAT2B
SCHEMBL1470938 0.83 KAT2B (0.61) KMT2AMAPTRAB9ANPC1KAT2B
SCHEMBL6200169 0.82 KAT2B (0.81) KMT2AMAPTRAB9ANPC1KAT2B
SCHEMBL7170020 0.82 KAT2B (0.81) KMT2AMAPTRAB9ANPC1KAT2B
SCHEMBL10581784 0.82 HTR6 (0.59) KMT2APKMMAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104651476-B Novel nitroreductase substrates 生物梅里埃公司 2020-02-18 CN disclosed
EP-2479282-B1 Media including nitroreductase enzymatic substrates BIOMERIEUX SA (FR) 2018-03-28 EP disclosed
CN-104531832-B Novel nitroreductase enzymatic substrates 生物梅里埃公司 2017-10-27 CN disclosed
EP-2155893-B1 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES BIOMERIEUX SA (FR) 2016-10-19 EP disclosed
EP-2471944-B1 Novel peptidase substrates BIOMERIEUX SA (FR) 2016-09-14 EP disclosed
EP-2155892-B1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX SA (FR) 2015-03-18 EP disclosed
US-8883826-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-11-11 US disclosed
US-8674106-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-03-18 US disclosed
US-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-07-11 US disclosed
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-11-01 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US disclosed
WO-2008152305-A2 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES bioMérieux (FR) 2008-12-18 WO disclosed
WO-2008152306-A2 NOVEL PEPTIDASE SUBSTRATES bioMérieux (FR) 2008-12-18 WO disclosed
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 WO disclosed
US-6399629-B1 PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY MICROCIDE PHARMACEUTICALS, INC. 2002-06-04 US disclosed
WO-2000001714-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-01-13 WO disclosed
US-5075304-A Nervous system disorders NOVO NORDISK A/S (DK) 1991-12-24 US disclosed
EP-0344943-A1 Imidazoquinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1989-12-06 EP disclosed
EP-0009800-B1 4-PHENYL-1,3-BENZODIAZEPINES, METHOD FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THE COMPOUNDS FOR USE AS MEDICAMENTS HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-23 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-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 KMT2A 2181/4885PKM 2176/4885MAPT 1113/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 KMT2A 1833/4885PKM 2122/4885MAPT 630/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 KMT2A 2181/4885PKM 2176/4885MAPT 1113/4885

“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.