SCHEMBL3760185

SCHEMBL3760185

CC(C)(C)OC(=O)N[C@@H](CN1C(=O)c2ccccc2C1=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.47
CTSS P25774 3/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
AKT1 P31749 1/20 0.43
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
SCN9A Q15858 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HDAC7 Q8WUI4 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40

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
SCHEMBL3374003 1.00 CTSK (0.47) CTSKCTSSKMT2AMEN1THRB
SCHEMBL14908706 1.00 CTSK (0.47) CTSKCTSSKMT2AMEN1THRB
SCHEMBL30109123 0.92 CTSS (0.41) CTSKCTSSKMT2AMEN1AKT1
SCHEMBL34471389 0.91 ALDH1A1 (0.46) CTSKCTSSKMT2AAKT1MAPT
SCHEMBL30109136 0.89 POLB (0.48) KMT2AMEN1MAPTATMALDH1A1
SCHEMBL30109325 0.89 POLB (0.48) KMT2AMEN1MAPTATMALDH1A1
SCHEMBL5576694 0.89 KMT2A (0.43) CTSKCTSSKMT2AMEN1THRB
SCHEMBL10324475 0.88 HDAC7 (0.46) CTSKCTSSKMT2AAKT1MAPT
SCHEMBL10324476 0.88 HDAC7 (0.46) CTSKCTSSKMT2AAKT1MAPT
SCHEMBL23017648 0.88 KMT2A (0.43) KMT2AMEN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
CN-102958918-A Novel nicotinamide derivatives or salts thereof FUJIFILM CORP 2013-03-06 CN disclosed
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO 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 (4 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK CTSK 3872/4885CTSS 3435/4885KMT2A 1162/4885
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 CTSK 1957/4885CTSS 1961/4885KMT2A 4728/4885
US-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 CTSK 2622/4885CTSS 2298/4885KMT2A 4627/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 CTSK 1957/4885CTSS 1961/4885KMT2A 4728/4885

“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.