SCHEMBL5105396

SCHEMBL5105396

CC(=O)NCCNCc1ccc(OCc2ccccc2F)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 10/20 0.66
PDCD1 Q15116 6/20 0.66
SCN3A Q9NY46 1/20 0.65
SCN9A Q15858 1/20 0.58
MAOB P27338 5/20 0.57
PARP15 Q460N3 1/20 0.51
PARP14 Q460N5 1/20 0.51
PARP10 Q53GL7 1/20 0.51
PTPN1 P18031 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL5092319 0.87 CD274 (0.57) CD274PDCD1SCN3AMAOB
SCHEMBL5098863 0.85 CD274 (0.74) CD274PDCD1SCN3AMEN1KMT2A
SCHEMBL5098920 0.84 CD274 (0.56) CD274PDCD1SCN3AMAOB
SCHEMBL5099006 0.84 PDCD1 (0.65) CD274PDCD1MAOBMEN1KMT2A
SCHEMBL5105316 0.83 CD274 (0.66) CD274PDCD1SCN3AKMT2A
SCHEMBL5104932 0.83 LMNA (0.61) CD274PDCD1MEN1KMT2A
SCHEMBL5096240 0.83 CD274 (0.55) CD274PDCD1SCN3AKMT2A
SCHEMBL5098443 0.82 KMT2A (0.70) CD274PDCD1MEN1KMT2A
SCHEMBL5096325 0.82 CD274 (0.70) CD274PDCD1MEN1KMT2A
SCHEMBL5096316 0.82 CD274 (0.70) CD274PDCD1PARP15PARP10

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 CD274 4861/4885PDCD1 4832/4885SCN3A 29/4885

“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.