SCHEMBL5865147

SCHEMBL5865147

O=[N+]([O-])c1ccc(OC2CCN(c3ncccn3)CC2)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 7/20 0.67
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 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
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL5864832 0.88 SCD (0.56) SCDKMT2AMEN1ALDH1A1MAPT
SCHEMBL5864941 0.84 SCD (0.56) SCDKMT2AMEN1ALDH1A1MAPT
SCHEMBL20694189 0.84 ALDH1A1 (0.57) SCDKMT2AMEN1ALDH1A1MAPT
SCHEMBL5865001 0.84 SCD (0.53) SCDKMT2AMEN1ALDH1A1MAPT
SCHEMBL5864619 0.83 SCD (0.52) SCDKMT2AMEN1ALDH1A1MAPT
SCHEMBL20694167 0.82 ENPP2 (0.52) SCDKMT2AMEN1ALDH1A1MAPT
SCHEMBL27265100 0.81 HSD17B10 (0.53) SCDKMT2AMEN1ALDH1A1MAPT
SCHEMBL3979711 0.81 SCD (0.51) SCDKMT2AMEN1ALDH1A1MAPT
SCHEMBL2566327 0.81 SCD (1.00) SCDALDH1A1
SCHEMBL20694350 0.80 ALDH1A1 (0.55) SCDKMT2AMEN1ALDH1A1MAPT

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 2794/4885KMT2A 2377/4885MEN1 2403/4885

“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.