SCHEMBL87326

SCHEMBL87326

CNC(=O)C(N)C(OC)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNA5 P22460 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 4/20 0.39
HTT P42858 3/20 0.39
AHR P35869 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3735137 0.79 ROCK2 (0.47) ALDH1A1KCNA5POLBKDM4ELMNA
SCHEMBL27592790 0.74 RAB9A (0.51) KMT2AKCNA5POLBKDM4EHTT
Hydrochloric Acid SCHEMBL27749671 0.73 RAB9A (0.50) KMT2AKCNA5POLBKDM4EHTT
SCHEMBL30430689 0.73 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AKCNA5POLB
SCHEMBL5216927 0.73 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AKCNA5POLB
SCHEMBL28520217 0.72 ALDH1A1 (0.45) ALDH1A1KMT2AKCNA5POLBKDM4E
SCHEMBL25564133 0.72 KCNA5 (0.54) KCNA5KDM4EHTTLMNA
SCHEMBL12281405 0.72 CFTR (0.47) KDM4ELMNAHSD17B10
SCHEMBL3884253 0.72 KDM4E (0.51) ALDH1A1MEN1KMT2AKCNA5POLB
Hydrochloric Acid SCHEMBL15270291 0.72 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AKCNA5POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470877-B2 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2013-06-25 US disclosed
US-20120220592-A1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2012-08-30 US disclosed
US-8129427-B2 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2012-03-06 US disclosed
US-20110046129-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2011-02-24 US disclosed
US-7855227-B2 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-12-21 US disclosed
US-20080319057-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators NEWRON PHARMACEUTICALS S.P.A. 2008-12-25 US 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 (3 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-20080319057-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators CACNA1A, CACNA1E, CACNA1I ALDH1A1 1266/4885MEN1 1535/4885KMT2A 844/4885
US-20110046129-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators CACNA1A, CACNA1I, KCNN2 ALDH1A1 2542/4885MEN1 1782/4885KMT2A 1187/4885
US-20120220592-A1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS CACNA1A, CACNA1I, KCNN2 ALDH1A1 2542/4885MEN1 1782/4885KMT2A 1187/4885

“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.