SCHEMBL5864902

SCHEMBL5864902

O=[N+]([O-])c1ccc(OC2CCN(CCc3ccccc3)CC2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 4/20 0.55
SCN8A Q9UQD0 4/20 0.55
HTR2A P28223 2/20 0.53
SIGMAR1 Q99720 2/20 0.52
KCNJ1 P48048 2/20 0.48
KCNH2 Q12809 1/20 0.48
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
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 0.90 MAPT (0.57) SCN1ASCN8ASIGMAR1MAPTPKM
SCHEMBL5865016 0.85 SCN8A (0.49) SCN1ASCN8AKCNH2MAPTRAB9A
SCHEMBL5864901 0.83 MAPT (0.46) MAPTMAPK1RAB9A
SCHEMBL28772306 0.82 HTR2A (0.63) HTR2ASIGMAR1KCNJ1KCNH2HRH3
SCHEMBL5865001 0.81 SCD (0.53) MAPTMAPK1RAB9A
SCHEMBL5864786 0.81 SCN1A (0.55) SCN1ASCN8AHTR2ASIGMAR1ACHE
SCHEMBL3979711 0.81 SCD (0.51) MAPTMAPK1RAB9AACHE
SCHEMBL5865032 0.80 SCN8A (0.59) SCN1ASCN8ASIGMAR1MAPTPKM
SCHEMBL20694189 0.79 ALDH1A1 (0.57) MAPTMAPK1RAB9A
SCHEMBL27265100 0.79 HSD17B10 (0.53) MAPTPKMRAB9A

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 SCN1A 572/4885SCN8A 763/4885HTR2A 2066/4885

“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.