SCHEMBL14950422

SCHEMBL14950422

C#Cc1ccc(OCCN2CCNC2=O)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
ALK Q9UM73 1/20 0.39
SCN9A Q15858 3/20 0.38
ICMT O60725 2/20 0.38
PDK2 Q15119 1/20 0.37
SCN5A Q14524 2/20 0.37
LTA4H P09960 1/20 0.37
MCHR1 Q99705 2/20 0.36
KDM4E B2RXH2 2/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
POLB P06746 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36

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
SCHEMBL18344265 0.89 ALK (0.48) BRD4ALKSCN9AICMTMCHR1
SCHEMBL369219 0.85 BRD4 (0.43) BRD4ALKSCN9AICMTPDK2
SCHEMBL19151276 0.85 BRD4 (0.41) BRD4ALKSCN9AICMTPDK2
SCHEMBL17612728 0.85 BRD4 (0.41) BRD4ALKSCN9AICMTPDK2
SCHEMBL10031971 0.81 BRD4 (0.42) BRD4SCN9APDK2SCN5ALTA4H
SCHEMBL364465 0.80 FDPS (0.60) KDM4EALDH1A1
SCHEMBL16769443 0.80 LTA4H (0.45) BRD4SCN9APDK2LTA4HKDM4E
SCHEMBL10031677 0.79 FDPS (0.46) BRD4MCHR1KDM4EPOLBALDH1A1
SCHEMBL20852021 0.78 BRD4 (0.42) BRD4SCN9APDK2SCN5ALTA4H
SCHEMBL369666 0.76 NPC1 (0.47) KDM4EPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394380-B2 Graft polymer to which combined nitrogen molecules are grafted COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2016-07-19 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 103/4885ALK 3179/4885SCN9A 4260/4885

“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.