SCHEMBL5865032

SCHEMBL5865032

O=[N+]([O-])c1ccc(OC2CCN(Cc3cccnc3)CC2)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 8/20 0.59
SCN1A P35498 6/20 0.48
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
UTS2R Q9UKP6 2/20 0.46
SCD O00767 1/20 0.46
SCN9A Q15858 1/20 0.45
SIGMAR1 Q99720 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ACHE P22303 1/20 0.44

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
SCHEMBL5864745 0.89 MAPT (0.57) SCN8ASCN1AMAPTPKMMAPK1
SCHEMBL5864619 0.83 SCD (0.52) SCN8AMAPTMAPK1SCDSMN1; SMN2
SCHEMBL5865015 0.83 SCN8A (0.59) SCN8ASCN1ASCN9ASIGMAR1ACHE
SCHEMBL5864902 0.80 SCN1A (0.55) SCN8ASCN1AMAPTPKMMAPK1
SCHEMBL21306435 0.76 MAPK1 (0.60) MAPTPKMMAPK1RAB9ASIGMAR1
SCHEMBL5865147 0.76 SCD (0.67) MAPTMAPK1RAB9ASCDSMN1; SMN2
SCHEMBL5864941 0.76 SCD (0.56) MAPTMAPK1SCDSMN1; SMN2
SCHEMBL5865016 0.76 SCN8A (0.49) SCN8ASCN1AMAPTRAB9ASCD
SCHEMBL27265100 0.75 HSD17B10 (0.53) MAPTPKMRAB9ASCDSMN1; SMN2
SCHEMBL11241454 0.75 CYP19A1 (0.60) MAPTRAB9ASMN1; SMN2

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 572/4885MAPT 4885/4885

“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.