SCHEMBL5864916

SCHEMBL5864916

Nc1ccc(OC2CCN(c3ncccn3)CC2)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 11/20 0.56
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
CSNK2A1 P68400 1/20 0.40
SCN9A Q15858 1/20 0.39

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
SCHEMBL5864989 0.86 MALT1 (0.48) SCDMEN1KMT2AALDH1A1
SCHEMBL20694232 0.82 MALT1 (0.45) SCDMEN1KMT2AALDH1A1
SCHEMBL5864962 0.82 SCD (0.42) SCDALDH1A1HTTCSNK2A1
SCHEMBL20694348 0.82 ALDH1A1 (0.50) SCDALDH1A1HTTCSNK2A1
SCHEMBL5864969 0.82 ALDH1A1 (0.43) SCDALDH1A1HTTCSNK2A1
SCHEMBL5864926 0.81 TRPV6 (0.42) SCD
SCHEMBL5865147 0.80 SCD (0.67) SCDMEN1KMT2AALDH1A1
SCHEMBL20694168 0.79 ALDH1A1 (0.43) SCDALDH1A1HTTCSNK2A1
SCHEMBL25769675 0.79 CSNK2A1 (0.54) ALDH1A1HTTCSNK2A1
SCHEMBL20694186 0.79 ALDH1A1 (0.55) ALDH1A1HTT

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 SCD 2794/4885MEN1 2403/4885KMT2A 2377/4885

“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.