SCHEMBL4056862

SCHEMBL4056862

COc1c(C)ncc(CN)c1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.46
DPP4 P27487 2/20 0.40
GFER P55789 1/20 0.39
HSP90AB1 P08238 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PDXK O00764 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
AOX1 Q06278 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL30649291 0.88 KDM4E (0.59) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL14469765 0.87 LMNA (0.63) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL11449654 0.83 KDM4E (0.46) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL4276650 0.79 KDM4E (0.47) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL3443072 0.77 KDM4E (0.76) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL4224165 0.77 DPP4 (0.36) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL3392208 0.75 KDM4E (0.47) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL4056857 0.74 NNMT (0.46) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL3442533 0.73 NOS3 (0.41) KDM4ELMNAMAPT
SCHEMBL31992 0.72 KDM4E (0.44) KDM4ELMNAALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824825-A4 SUBSTITUTED PYRIDOXINES AS ANTI-PLATELET AGENTS MEDICURE INT INC (BB) 2009-07-08 EP disclosed
US-20080306108-A1 Substituted Pyridoxines As Anti-Platelet Agents MEDICURE INTERNATIONAL INC. (BB) 2008-12-11 US disclosed
EP-1824825-A1 SUBSTITUTED PYRIDOXINES AS ANTI-PLATELET AGENTS Medicure International Inc. (BB) 2007-08-29 EP disclosed
WO-2006045203-A1 SUBSTITUTED PYRIDOXINES AS ANTI-PLATELET AGENTS MEDICURE INTERNATIONAL INC. (CA) 2006-05-04 WO disclosed
US-20060094749-A1 Substituted pyridoxines as anti-platelet agents MEDICURE INTERNATIONAL INC. 2006-05-04 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 (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-20080306108-A1 Substituted Pyridoxines As Anti-Platelet Agents PNPO, GP6, PFKP KDM4E 3605/4885LMNA 2020/4885ALDH1A1 1958/4885
US-20060094749-A1 Substituted pyridoxines as anti-platelet agents PNPO, GP6, PFKP KDM4E 3605/4885LMNA 2020/4885ALDH1A1 1958/4885

“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.