SCHEMBL6217577

SCHEMBL6217577

N#Cc1ccc(C(C#N)C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.51
KAT2B Q92831 1/20 0.43
MAPT P10636 5/20 0.41
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
RAB9A P51151 1/20 0.37
MEN1 O00255 2/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
MERTK Q12866 2/20 0.36
MTOR P42345 1/20 0.36
PLK1 P53350 1/20 0.36

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
SCHEMBL6217572 1.00 VCAM1 (0.51) VCAM1KAT2BMAPTKMT2AMAPK1
SCHEMBL2793482 0.85 VCAM1 (0.54) VCAM1KAT2BMAPTKMT2AMAPK1
SCHEMBL2793480 0.85 VCAM1 (0.54) VCAM1KAT2BMAPTKMT2AMAPK1
SCHEMBL1795604 0.83 VCAM1 (0.51) VCAM1KAT2BMAPTKMT2AMAPK1
SCHEMBL4554197 0.83 TSHR (0.47) TDP1RAB9ALMNAPDK1
SCHEMBL25295111 0.83 CYP1A2 (0.39) MAPK1RAB9APKMCYP1A2PDK1
SCHEMBL4554198 0.83 TSHR (0.47) TDP1RAB9ALMNAPDK1
SCHEMBL1795608 0.83 VCAM1 (0.51) VCAM1KAT2BMAPTKMT2AMAPK1
SCHEMBL3124584 0.82 VCAM1 (0.45) VCAM1KAT2BMAPTKMT2AMAPK1
SCHEMBL7965816 0.80 VCAM1 (0.48) VCAM1KAT2BMAPTKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1367058-B1 Tetrahydropyran derivatives ASTELLAS PHARMA INC (JP) 2005-11-09 EP disclosed
US-20050239780-A1 Tetrahydropyran derivative ASTELLAS PHARMA INC. (JP) 2005-10-27 US disclosed
EP-1367058-A1 Tetrahydropyran derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-12-03 EP 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 (1 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-20050239780-A1 Tetrahydropyran derivative APOB, HDLBP, LDLR VCAM1 988/4885KAT2B 2641/4885MAPT 4392/4885

“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.