SCHEMBL370715

SCHEMBL370715

COc1cc(/C=N/O)ccc1OCCN1CCNC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
POLB P06746 5/20 0.47
TP53 P04637 1/20 0.47
PAX8 Q06710 1/20 0.47
KLF5 Q13887 1/20 0.47
HIF1A Q16665 1/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
ALDH1A1 P00352 4/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
MAPT P10636 3/20 0.46
PKM P14618 1/20 0.44
GFER P55789 1/20 0.44
FDPS P14324 2/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 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
SCHEMBL369666 1.00 NPC1 (0.47) NPC1RAB9ASMN1; SMN2POLBTP53
SCHEMBL17612732 0.87 PDK2 (0.39) NPC1RAB9ASMN1; SMN2POLBTP53
SCHEMBL364465 0.86 FDPS (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL10031677 0.85 FDPS (0.46) SMN1; SMN2POLBKMT2AMEN1ALDH1A1
SCHEMBL10031971 0.83 BRD4 (0.42) POLBKMT2AMEN1ALDH1A1FDPS
SCHEMBL2554805 0.82 FDPS (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL16769443 0.80 LTA4H (0.45) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL28626681 0.78 POLB (0.52) NPC1RAB9ASMN1; SMN2POLBTP53
SCHEMBL29995988 0.78 POLB (0.52) NPC1RAB9ASMN1; SMN2POLBTP53
SCHEMBL18344265 0.77 ALK (0.48) ALDH1A1MAPT

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
EP-2593437-B1 MOLECULES HAVING COMBINABLE GROUPS ARKEMA FRANCE (FR) 2017-09-06 EP disclosed
EP-2593437-B1 MOLECULES HAVING COMBINABLE GROUPS ARKEMA FRANCE (FR) 2017-09-06 EP disclosed
US-9394380-B2 Graft polymer to which combined nitrogen molecules are grafted COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2016-07-19 US disclosed
US-9394380-B2 Graft polymer to which combined nitrogen molecules are grafted COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2016-07-19 US 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
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-9045432-B2 Nitrile oxide, nitrone, and nitrile imine compounds ARKEMA FRANCE (FR) 2015-06-02 US 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-20130197237-A1 MOLECULES HAVING COMBINABLE GROUPS ARKEMA FRANCE (FR) 2013-08-01 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
US-20130131279-A1 GRAFT POLYMER TO WHICH COMBINED NITROGEN MOLECULES ARE GRAFTED Mchelin Recherche et Technique S.A. (CH) 2013-05-23 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-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
WO-2012007441-A1 GRAFT POLYMER TO WHICH COMBINED NITROGEN MOLECULES ARE GRAFTED SOCIETE DE TECHNOLOGIE MICHELIN (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 NPC1 4242/4885RAB9A 2902/4885SMN1; SMN2 4018/4885

“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.