SCHEMBL3530338

SCHEMBL3530338

CC(C)(C)OC(=O)NCCCCCCn1ccnc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TDP1 Q9NUW8 1/20 0.52
QPCT Q16769 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL31421606 1.00 TBXAS1 (0.54) TBXAS1L3MBTL1TDP1QPCTMEN1
SCHEMBL4781044 0.95 L3MBTL1 (0.60) L3MBTL1QPCTMEN1KMT2ALMNA
Acetic Acid SCHEMBL28832331 0.91 L3MBTL1 (0.56) TBXAS1L3MBTL1QPCTMEN1KMT2A
SCHEMBL5052775 0.89 L3MBTL1 (0.49) TBXAS1L3MBTL1QPCTMEN1KMT2A
Iodide SCHEMBL2425744 0.87 L3MBTL1 (0.49) TBXAS1L3MBTL1TDP1QPCTMEN1
Butyric Acid SCHEMBL28832195 0.86 TBXAS1 (0.52) TBXAS1L3MBTL1QPCTMEN1KMT2A
SCHEMBL31436074 0.85 NAMPT (0.50) L3MBTL1QPCTMEN1KMT2ALMNA
SCHEMBL31421155 0.83 L3MBTL1 (0.44) TBXAS1L3MBTL1QPCTMEN1KMT2A
SCHEMBL25591200 0.81 L3MBTL1 (0.68) TBXAS1L3MBTL1QPCTMEN1KMT2A
SCHEMBL14701138 0.80 L3MBTL1 (0.46) L3MBTL1QPCTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807682-B2 Pyridyl cyanoguanidine compounds LEO PHARMA A/S (DK) 2010-10-05 US disclosed
EP-1397355-B1 PYRIDYL CYANOGUANIDINE COMPOUNDS LEO PHARMA AS (DK) 2009-09-09 EP disclosed
US-20080090842-A1 Novel pyridyl cyanoguanidine compounds LEO PHARMA A/S (DK) 2008-04-17 US disclosed
US-7304066-B2 Pyridyl cyanoguanidine compounds LEO PHARMA A/S (DK) 2007-12-04 US disclosed
CN-1247570-C Novel pyridyl cyanoguandine compounds LEO PHARMA AS (DK) 2006-03-29 CN disclosed
US-20040220408-A1 Novel pyridyl cyanoguanidine compounds LEO PHARMA A/S (DK) 2004-11-04 US disclosed
CN-1509283-A novel pyridyl cyanoguanidine compounds ������ҩ�����޹�˾ 2004-06-30 CN 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 (2 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-20040220408-A1 Novel pyridyl cyanoguanidine compounds DAO, AOC1, SIGMAR1 TBXAS1 2150/4885L3MBTL1 1377/4885TDP1 1132/4885
US-20080090842-A1 Novel pyridyl cyanoguanidine compounds DAO, CCNY, CBR1 TBXAS1 970/4885L3MBTL1 1834/4885TDP1 1835/4885

“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.