SCHEMBL4370515

SCHEMBL4370515

N#Cc1ccccc1C(CN)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CXCR2 P25025 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
CTSC P53634 2/20 0.35
STAT3 P40763 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 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
SCHEMBL5700710 0.83 L3MBTL1 (0.42) GAAKDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL28459741 0.77 SRC (0.45) GAAKDM4EL3MBTL1ALDH1A1CXCR2
SCHEMBL8664729 0.75 TSHR (0.42) KDM4EALDH1A1SMN1; SMN2CYP1A2TSHR
SCHEMBL7050570 0.74 L3MBTL1 (0.45) GAAKDM4EL3MBTL1ALDH1A1CXCR2
SCHEMBL21632329 0.74 MEN1 (0.50) ALDH1A1CYP1A2TSHRGABBR2GABBR1
SCHEMBL3383530 0.74 ROCK2 (0.49) L3MBTL1ALDH1A1SMN1; SMN2CYP1A2TSHR
SCHEMBL3385715 0.74 ROCK2 (0.49) GAAALDH1A1CYP1A2TSHRGABBR2
SCHEMBL20853408 0.74 L3MBTL1 (0.45) GAAKDM4EL3MBTL1ALDH1A1CXCR2
SCHEMBL31561697 0.74 L3MBTL1 (0.45) GAAKDM4EL3MBTL1ALDH1A1CXCR2
SCHEMBL28901571 0.74 L3MBTL1 (0.41) GAAKDM4EL3MBTL1ALDH1A1CXCR2

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 GAA 2720/4885KDM4E 3605/4885L3MBTL1 4311/4885
US-20060094749-A1 Substituted pyridoxines as anti-platelet agents PNPO, GP6, PFKP GAA 2720/4885KDM4E 3605/4885L3MBTL1 4311/4885

“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.