SCHEMBL365952

SCHEMBL365952

O=C1NCCN1CCOc1ccccc1C=NO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
USP2 O75604 2/20 0.44
PDK2 Q15119 1/20 0.43
LMNA P02545 6/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
SCN9A Q15858 3/20 0.42

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
SCHEMBL10031750 1.00 HPGD (0.47) HPGDMAPK1TSHRHSD17B10MEN1
SCHEMBL371151 1.00 HPGD (0.47) HPGDMAPK1TSHRHSD17B10MEN1
SCHEMBL366279 0.84 MEN1 (0.64) HPGDMEN1KMT2APDK2LMNA
SCHEMBL20630215 0.81 HPGD (0.52) HPGDMAPK1TSHRMEN1KMT2A
SCHEMBL21925269 0.81 HPGD (0.52) HPGDMAPK1TSHRMEN1KMT2A
SCHEMBL18758195 0.79 MEN1 (0.43) MEN1KMT2APDK2LMNAALDH1A1
SCHEMBL17612732 0.79 PDK2 (0.39) HPGDMEN1KMT2APDK2LMNA
SCHEMBL369666 0.77 NPC1 (0.47) HPGDMEN1KMT2ALMNAALDH1A1
SCHEMBL370715 0.77 NPC1 (0.47) HPGDMEN1KMT2ALMNAALDH1A1
SCHEMBL18758160 0.76 KMT2A (0.43) MEN1KMT2APDK2ALDH1A1MAPT

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313823-B1 METHOD FOR SYNTHESIZING MOLECULES HAVING A NITRILE OXIDE FUNCTION MICHELIN & CIE (FR) 2022-11-09 EP disclosed
EP-3313822-B1 METHOD FOR SYNTHESIZING AROMATIC OXIMES MICHELIN & CIE (FR) 2022-09-14 EP disclosed
EP-3313823-A1 METHOD FOR SYNTHESIZING MOLECULES HAVING A NITRILE OXIDE FUNCTION Compagnie Générale des Etablissements Michelin (FR) 2018-05-02 EP disclosed
EP-2593437-B1 MOLECULES HAVING COMBINABLE GROUPS ARKEMA FRANCE (FR) 2017-09-06 EP disclosed
WO-2016207263-A1 METHOD FOR SYNTHESIZING MOLECULES HAVING A NITRILE OXIDE FUNCTION COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2016-12-29 WO disclosed
US-9394380-B2 Graft polymer to which combined nitrogen molecules are grafted COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2016-07-19 US disclosed
EP-2593485-B1 POLYMERS CRAFTET WITH AZOTIC MOLECULES MICHELIN & CIE (FR) 2016-03-23 EP disclosed
US-9045432-B2 Nitrile oxide, nitrone, and nitrile imine compounds ARKEMA FRANCE (FR) 2015-06-02 US disclosed
US-20130197237-A1 MOLECULES HAVING COMBINABLE GROUPS ARKEMA FRANCE (FR) 2013-08-01 US disclosed
US-20130131279-A1 GRAFT POLYMER TO WHICH COMBINED NITROGEN MOLECULES ARE GRAFTED Mchelin Recherche et Technique S.A. (CH) 2013-05-23 US disclosed
EP-2593437-A1 MOLECULES HAVING COMBINABLE GROUPS Arkema France (FR) 2013-05-22 EP disclosed
EP-2593485-A1 GRAFT POLYMER TO WHICH COMBINED NITROGEN MOLECULES ARE GRAFTED Compagnie Générale des Etablissements Michelin (FR) 2013-05-22 EP disclosed
WO-2012007441-A1 GRAFT POLYMER TO WHICH COMBINED NITROGEN MOLECULES ARE GRAFTED SOCIETE DE TECHNOLOGIE MICHELIN (FR) 2012-01-19 WO disclosed
WO-2012007684-A1 MOLECULES HAVING COMBINABLE GROUPS ARKEMA FRANCE (FR) 2012-01-19 WO 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 (1 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-20130197237-A1 MOLECULES HAVING COMBINABLE GROUPS NCAPH, NCL, PARG HPGD 2206/4885MAPK1 4439/4885TSHR 4837/4885

“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.