SCHEMBL5096232

SCHEMBL5096232

COc1cc(CNCCCNC(C)=O)cc(OC)c1OCc1ccccc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.57
HTT P42858 3/20 0.57
RAB9A P51151 1/20 0.57
MEN1 O00255 4/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MAPT P10636 4/20 0.52
GAA P10253 3/20 0.52
ALDH1A1 P00352 3/20 0.52
ALOX12 P18054 1/20 0.52
BLM P54132 1/20 0.52
PLEC Q15149 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CD274 Q9NZQ7 2/20 0.51
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47

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
SCHEMBL5092374 0.94 KMT2A (0.55) KMT2AHTTRAB9AMEN1LMNA
SCHEMBL5092370 0.93 KMT2A (0.64) KMT2AHTTRAB9AMEN1LMNA
SCHEMBL5096285 0.89 KMT2A (0.73) KMT2AHTTRAB9AMEN1SMN1; SMN2
SCHEMBL5105122 0.88 SCN8A (0.49) KMT2AHTTRAB9AMEN1LMNA
SCHEMBL5104975 0.87 KMT2A (0.66) KMT2AHTTRAB9AMEN1LMNA
SCHEMBL5099042 0.83 CD274 (0.66) KMT2AHTTRAB9ANPSR1MAPT
SCHEMBL5104982 0.83 CD274 (0.62) KMT2AHTTRAB9ACD274MTNR1B
SCHEMBL5098443 0.82 KMT2A (0.70) KMT2AHTTRAB9AMEN1SMN1; SMN2
SCHEMBL5098860 0.82 CD274 (0.58) KMT2AHTTRAB9ANPSR1MAPT
SCHEMBL5096240 0.81 CD274 (0.55) KMT2AHTTRAB9ALMNACD274

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 10 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-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 4198/4885HTT 961/4885RAB9A 1637/4885

“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.