SCHEMBL5864804

SCHEMBL5864804

O=[N+]([O-])c1ccc(OC2CCN(C3CCCC3)CC2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.50
SCD O00767 1/20 0.48
ALDH1A1 P00352 6/20 0.45
MAPT P10636 4/20 0.45
CYP19A1 P11511 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PTGES O14684 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
HRH1 P35367 1/20 0.43
CCR3 P51677 1/20 0.43
PDE7A Q13946 1/20 0.42

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
SCHEMBL22069750 0.87 CYP19A1 (0.55) SCDALDH1A1MAPTCYP19A1SMN1; SMN2
SCHEMBL6819180 0.86 CYP19A1 (0.56) SCDALDH1A1MAPTCYP19A1SMN1; SMN2
SCHEMBL30296552 0.84 CYP19A1 (0.52) SCDALDH1A1MAPTCYP19A1SMN1; SMN2
SCHEMBL27265100 0.84 HSD17B10 (0.53) SCDALDH1A1MAPTCYP19A1SMN1; SMN2
SCHEMBL3979711 0.84 SCD (0.51) SCDALDH1A1MAPTCYP19A1SMN1; SMN2
SCHEMBL17708198 0.82 HRH3 (0.43) SCN8ASCDALDH1A1MAPTCYP19A1
SCHEMBL5864825 0.82 ALDH1A1 (0.51) SCDALDH1A1MAPTCYP19A1SMN1; SMN2
SCHEMBL5865157 0.81 SCD (0.48) SCN8ASCDALDH1A1MAPTCYP19A1
SCHEMBL6815887 0.80 SCD (0.47) SCDALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL5865001 0.80 SCD (0.53) SCDALDH1A1MAPTSMN1; SMN2MEN1

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 763/4885SCD 2794/4885ALDH1A1 1382/4885

“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.