SCHEMBL1013013

SCHEMBL1013013

CCOC(=O)CCCc1nccc2c(C#N)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP4Z1 Q86W10 2/20 0.41
TOP2A P11388 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
CYP4F11 Q9HBI6 1/20 0.41
CYP4F12 Q9HCS2 1/20 0.41
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
ALOX5 P09917 1/20 0.40
NLRP3 Q96P20 1/20 0.40
TBXAS1 P24557 2/20 0.39
TNF P01375 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 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
SCHEMBL1013044 0.81 LMNA (0.36) SMN1; SMN2MAPTLMNAKDM4EALDH1A1
SCHEMBL1013043 0.78 SLC22A12 (0.39) ALDH1A1HPGDELANE
SCHEMBL1014258 0.78 CYP1A2 (0.41) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11983613 0.77 CYP1A2 (0.40) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20477208 0.73 CYP4F2 (0.48) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2135834 0.71 CYP4F2 (0.50) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23975944 0.71 MAPT (0.49) SMN1; SMN2CYP2C9MAPTLMNANLRP3
SCHEMBL1014642 0.71 HTT (0.35) SMN1; SMN2NPC1ALDH1A1HPGDRAB9A
SCHEMBL21350635 0.71 SLC22A12 (0.54) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17540562 0.70 SLC22A12 (0.55) CYP4F2CYP4A11

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 11 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
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
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 SMN1; SMN2 889/4885CYP1A2 18/4885CYP3A4 13/4885

“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.