SCHEMBL1013056

SCHEMBL1013056

N#Cc1cc(C(=O)Cl)ccc1OCC1CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.53
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP2 Q9UGN5 1/20 0.42

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
SCHEMBL1017998 0.87 XDH (0.63) XDHALDH1A1HPGD
SCHEMBL30863521 0.85 XDH (0.43) XDHALDH1A1HPGDNPC1RAB9A
SCHEMBL4286296 0.84 PDE4B (0.52) PARP15PARP10PARP2
SCHEMBL1015940 0.84 XDH (0.51) XDHALDH1A1HPGDNPC1RAB9A
SCHEMBL1013024 0.81 KMO (0.52) HPGDPARP15PARP10PARP2
SCHEMBL17050364 0.80 PDE4B (0.46) PARP15PARP10PARP2
SCHEMBL15968595 0.80 PDE4B (0.46) PARP15PARP10PARP2
Hydrochloric Acid SCHEMBL28514645 0.80 XDH (0.46) XDH
SCHEMBL1030016 0.79 PDE4B (0.61)
SCHEMBL30950126 0.78 ALDH1A1 (0.43) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
EP-2271643-A1 COMPOUNDS Glaxo Group Limited (GB) 2011-01-12 EP disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 WO disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 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-20110039889-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 XDH 106/4885ALDH1A1 427/4885HPGD 274/4885

“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.