SCHEMBL5219920

SCHEMBL5219920

CCOC(=O)c1cccc(-c2ccc(C#N)c(OCC3CO3)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
HPGD P15428 3/20 0.42
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 5/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
XDH P47989 2/20 0.38
HTT P42858 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL5219917 0.81 CYP1A2 (0.43) CYP1A2KDM4EALDH1A1MAPTCYP2C9
SCHEMBL6053636 0.81 HSD17B10 (0.41) CYP1A2HPGDKDM4EALDH1A1MAPT
SCHEMBL5221927 0.80 CYP11B2 (0.49) HPGDKDM4EALDH1A1CYP2C9CYP2C19
SCHEMBL22939960 0.73 CYP1A2 (0.59) CYP1A2HPGDKDM4EALDH1A1MAPT
SCHEMBL5217488 0.73 HPGD (0.45) CYP1A2HPGDKDM4EALDH1A1MAPT
SCHEMBL7603924 0.71 CASR (0.52)
SCHEMBL7603925 0.71 CASR (0.52)
SCHEMBL7604097 0.69 MGLL (0.48)
SCHEMBL7604094 0.69 MGLL (0.48)
SCHEMBL10507044 0.69 CYP1A2 (0.68) CYP1A2HPGDKDM4EALDH1A1TDP1

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-1368318-B1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-12-05 EP disclosed
US-6864267-B2 Calcilytic compounds SMITHKLINE BEECHAM CORPORATION (US) 2005-03-08 US disclosed
EP-1368318-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2003-12-10 EP disclosed
US-20030212110-A1 Glandular disorders; bone disorders SMITHKLINE BEECHAM CORPORATION 2003-11-13 US disclosed
WO-2002007673-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-31 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 (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-20030212110-A1 Glandular disorders; bone disorders CYP24A1, PTH1R, SOST CYP1A2 4201/4885HPGD 87/4885KDM4E 4705/4885

“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.