SCHEMBL5096313

SCHEMBL5096313

O=C1CCCN1CCCNCc1ccc(OCc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
MEN1 O00255 1/20 0.66
CD274 Q9NZQ7 5/20 0.63
SMN1; SMN2 Q16637 3/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
AKT1 P31749 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 2/20 0.42
LMNA P02545 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
SCHEMBL5104958 0.94 KMT2A (0.57) KMT2AMEN1CD274CYP1A2CYP3A4
SCHEMBL5105512 0.85 MEN1 (0.77) KMT2AMEN1CD274SMN1; SMN2
SCHEMBL5098455 0.82 CD274 (0.71) KMT2AMEN1CD274SMN1; SMN2AKT1
SCHEMBL5098986 0.82 CD274 (0.66) KMT2AMEN1CD274SMN1; SMN2AKT1
SCHEMBL5092330 0.80 MEN1 (0.73) KMT2AMEN1CD274SMN1; SMN2CYP1A2
SCHEMBL11298473 0.80 KMT2A (0.58) KMT2AMEN1CD274SMN1; SMN2CYP1A2
SCHEMBL5099088 0.80 KMT2A (0.74) KMT2AMEN1CD274SMN1; SMN2KDM4E
SCHEMBL5092228 0.80 MEN1 (0.71) KMT2AMEN1CD274SMN1; SMN2
SCHEMBL5092343 0.79 KMT2A (0.67) KMT2AMEN1CD274SMN1; SMN2KDM4E
SCHEMBL5105109 0.78 MEN1 (0.67) KMT2AMEN1CD274

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7411091-B2 N-acyl-N′-benzyl-alkylendiamino derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2008-08-12 US claimed
EP-1689708-B1 N-ACYL-N -BENZYL-ALKYLENDIAMINO DERIVATIVES NEWRON PHARM SPA (IT) 2007-06-27 EP claimed
US-20070142455-A1 N-acyl-n'-benzyl-alkylendiamino derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-06-21 US claimed
EP-1689708-A1 N-ACYL-N -BENZYL-ALKYLENDIAMINO DERIVATIVES Newron Pharmaceuticals S.p.A. (IT) 2006-08-16 EP claimed
WO-2005054189-A1 N-ACYL-N'-BENZYL-ALKYLENDIAMINO DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-06-16 WO claimed
EP-1535908-A1 N-acyl-N'-benzyl-alkylendiamino drivatives Newron Pharmaceuticals S.p.A. (IT) 2005-06-01 EP claimed
US-7411091-B2 N-acyl-N′-benzyl-alkylendiamino derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2008-08-12 US disclosed
EP-1689708-B1 N-ACYL-N -BENZYL-ALKYLENDIAMINO DERIVATIVES NEWRON PHARM SPA (IT) 2007-06-27 EP disclosed
US-20070142455-A1 N-acyl-n'-benzyl-alkylendiamino derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-06-21 US disclosed
EP-1689708-A1 N-ACYL-N -BENZYL-ALKYLENDIAMINO DERIVATIVES Newron Pharmaceuticals S.p.A. (IT) 2006-08-16 EP disclosed
WO-2005054189-A1 N-ACYL-N'-BENZYL-ALKYLENDIAMINO DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-06-16 WO disclosed
EP-1535908-A1 N-acyl-N'-benzyl-alkylendiamino drivatives Newron Pharmaceuticals S.p.A. (IT) 2005-06-01 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-20070142455-A1 N-acyl-n'-benzyl-alkylendiamino derivatives SCN7A, HTR7, TRPC7 KMT2A 4198/4885MEN1 718/4885CD274 4861/4885

“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.