SCHEMBL5865016

SCHEMBL5865016

O=[N+]([O-])c1ccc(OC2CCN(CCc3ccccn3)CC2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 4/20 0.49
SCN1A P35498 3/20 0.47
SCD O00767 1/20 0.47
TP53 P04637 2/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
THRB P10828 2/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5864902 0.85 SCN1A (0.55) SCN8ASCN1ARAB9AKCNH2MAPT
SCHEMBL5864814 0.83 SCN8A (0.49) SCN8ASCN1ATP53NPC1RAB9A
SCHEMBL5864832 0.81 SCD (0.56) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL5865147 0.79 SCD (0.67) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL5864745 0.79 MAPT (0.57) SCN8ASCN1ARAB9AKMT2AMEN1
SCHEMBL5864901 0.79 MAPT (0.46) SCDNPC1RAB9AKMT2AMAPT
SCHEMBL3979711 0.77 SCD (0.51) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL5865032 0.76 SCN8A (0.59) SCN8ASCN1ASCDRAB9AMAPT
SCHEMBL20694189 0.75 ALDH1A1 (0.57) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL5865001 0.75 SCD (0.53) SCDNPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030138-B2 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2006-04-18 US disclosed
US-20040147555-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
EP-1375482-A1 BENZAMIDINE DERIVATIVE Sankyo Company, Limited (JP) 2004-01-02 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 (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-20040147555-A1 Benzamidine derivatives F9, F7, F2 SCN8A 763/4885SCN1A 572/4885SCD 2794/4885

“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.