SCHEMBL5099092

SCHEMBL5099092

CCCCCOc1ccc(CNCCN2CCCC2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
CD274 Q9NZQ7 2/20 0.53
S1PR2 O95136 2/20 0.51
S1PR1 P21453 2/20 0.51
S1PR3 Q99500 2/20 0.51
LPAR2 Q9HBW0 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
ACACB O00763 1/20 0.46
RAB9A P51151 3/20 0.46
LTA4H P09960 1/20 0.45
NPC1 O15118 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL5098402 0.98 KMT2A (0.62) KMT2AMEN1CD274S1PR2S1PR1
SCHEMBL5092343 0.94 KMT2A (0.67) KMT2AMEN1CD274S1PR2S1PR1
SCHEMBL3039929 0.93 KMT2A (0.66) KMT2AMEN1CD274S1PR2S1PR1
SCHEMBL14197918 0.90 KMT2A (0.64) KMT2AMEN1CD274S1PR2S1PR1
SCHEMBL5105365 0.86 CD274 (0.57) KMT2AMEN1CD274RAB9ALTA4H
SCHEMBL5105141 0.85 CD274 (0.54) KMT2AMEN1CD274S1PR1S1PR3
SCHEMBL14287686 0.82 KMT2A (0.63) KMT2AMEN1CD274SMN1; SMN2ACACB
SCHEMBL5098986 0.82 CD274 (0.66) KMT2AMEN1CD274SMN1; SMN2RAB9A
SCHEMBL5105109 0.81 MEN1 (0.67) KMT2AMEN1CD274
SCHEMBL14287671 0.80 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.