SCHEMBL5098402

SCHEMBL5098402

CCCCOc1ccc(CNCCN2CCCC2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
CD274 Q9NZQ7 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.51
ACACB O00763 1/20 0.48
RAB9A P51151 1/20 0.47
S1PR2 O95136 2/20 0.47
S1PR1 P21453 2/20 0.47
S1PR3 Q99500 2/20 0.47
LPAR2 Q9HBW0 2/20 0.47
TSHR P16473 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
SCHEMBL5099092 0.98 KMT2A (0.60) KMT2AMEN1CD274SMN1; SMN2ACACB
SCHEMBL5092343 0.92 KMT2A (0.67) KMT2AMEN1CD274SMN1; SMN2ACACB
SCHEMBL14197918 0.92 KMT2A (0.64) KMT2AMEN1CD274SMN1; SMN2ACACB
SCHEMBL3039929 0.91 KMT2A (0.66) KMT2AMEN1CD274SMN1; SMN2ACACB
SCHEMBL5105365 0.88 CD274 (0.57) KMT2AMEN1CD274RAB9ATSHR
SCHEMBL5105141 0.85 CD274 (0.54) KMT2AMEN1CD274RAB9AS1PR1
SCHEMBL14287686 0.84 KMT2A (0.63) KMT2AMEN1CD274SMN1; SMN2ACACB
SCHEMBL5098986 0.84 CD274 (0.66) KMT2AMEN1CD274SMN1; SMN2RAB9A
SCHEMBL5105109 0.82 MEN1 (0.67) KMT2AMEN1CD274TSHR
SCHEMBL14287671 0.82 MEN1 (0.69) 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 14 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
CN-1886370-A N-acyl-N' -benzyl-alkylenediamino derivatives NEWRON PHARM SPA (IT) 2006-12-27 CN 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
CN-1886370-A N-acyl-N' -benzyl-alkylenediamino derivatives NEWRON PHARM SPA (IT) 2006-12-27 CN 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.