SCHEMBL14947221

SCHEMBL14947221

Cc1cc(C)c(OCCN2CCNC2=O)c(C)c1C=[N+](C)[O-]

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
SCN9A Q15858 3/20 0.34
PDK2 Q15119 1/20 0.34
KMT2A Q03164 5/20 0.33
SCN5A Q14524 2/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
POLB P06746 1/20 0.33
P2RY12 Q9H244 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
ALK Q9UM73 1/20 0.31
HTR2A P28223 1/20 0.30

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
SCHEMBL18533590 0.90 PDK2 (0.36) BRD4SCN9APDK2KMT2ASCN5A
SCHEMBL14947220 0.86 SCN9A (0.37) BRD4SCN9APDK2KMT2ASCN5A
SCHEMBL361472 0.85 SCN9A (0.37) BRD4SCN9APDK2KMT2ASCN5A
SCHEMBL18533577 0.82 PDK2 (0.38) BRD4SCN9APDK2KMT2ASCN5A
SCHEMBL29932171 0.81 HPGD (0.39) BRD4SCN9APDK2KMT2ASCN5A
SCHEMBL365754 0.81 HPGD (0.39) BRD4SCN9APDK2KMT2ASCN5A
SCHEMBL369223 0.81 HPGD (0.39) BRD4SCN9APDK2KMT2ASCN5A
SCHEMBL14950441 0.81 KMT2A (0.40) BRD4SCN9APDK2KMT2ASCN5A
SCHEMBL18533588 0.76 SCN9A (0.36) BRD4SCN9APDK2KMT2ASCN5A
SCHEMBL17612725 0.76 SCN9A (0.36) BRD4SCN9APDK2KMT2ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174794-A1 POLYMER MODIFIED ALONG THE CHAIN AND PROCESS FOR THE SYNTHESIS THEREOF COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2017-06-22 US disclosed
US-20170158782-A1 RUBBER COMPOSITION COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2017-06-08 US disclosed
EP-2931754-B1 HEAVY GOODS VEHICLE TYRE COMPRISING A TREAD BASED ON A MODIFIED POLYISOPRENE, PROCESS FOR PREPARING SAME MICHELIN & CIE (FR) 2017-02-22 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-9394434-B2 Rubber composition containing a modified elastomer, method for preparing same, and tire containing same COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2016-07-19 US disclosed
US-20150322183-A1 HEAVY GOODS VEHICLE TIRE COMPRISING A TREAD BASED ON A MODIFIED POLYISOPRENE, PROCESS FOR PREPARING SAME MICHELIN RECHERCHE ET TECHNIQUE, S.A. (CH) 2015-11-12 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-20130131279-A1 GRAFT POLYMER TO WHICH COMBINED NITROGEN MOLECULES ARE GRAFTED Mchelin Recherche et Technique S.A. (CH) 2013-05-23 US disclosed
US-20130123418-A1 RUBBER COMPOSITION CONTAINING A MODIFED ELASTOMER, METHOD FOR PREPARING SAME, AND TIRE CONTAINING SAME MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2013-05-16 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 (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 BRD4 103/4885SCN9A 4260/4885PDK2 3939/4885

“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.