SCHEMBL1014258

SCHEMBL1014258

CCOC(=O)CCCc1nccc2c(C(=N)NO)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP4Z1 Q86W10 2/20 0.40
TOP2A P11388 2/20 0.40
LMNA P02545 1/20 0.40
CYP4F11 Q9HBI6 1/20 0.40
CYP4F12 Q9HCS2 1/20 0.40
CNR1 P21554 2/20 0.39
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
ALOX5 P09917 1/20 0.38
TBXAS1 P24557 1/20 0.38
TNF P01375 1/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE5A O76074 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
SCHEMBL1014656 0.82 ALDH1A1 (0.36) LMNACNR1HSD17B10
SCHEMBL11983613 0.82 CYP1A2 (0.40) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1014655 0.79 SSTR4 (0.33) LMNACNR1
SCHEMBL1013013 0.78 SMN1; SMN2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2133804 0.74 CYP4F2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1015274 0.74 DUT (0.30)
SCHEMBL1398484 0.72 CNR1 (0.47) TOP2ACNR1TBXAS1TNFUSP2
SCHEMBL1420481 0.72 SMN1; SMN2 (0.55) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1398490 0.72 CNR1 (0.45) TOP2ALMNACNR1TNFPDE5A
SCHEMBL2135339 0.72 CNR2 (0.40) CNR1USP2HSD17B10

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
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
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

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 CYP1A2 18/4885CYP3A4 13/4885CYP2D6 9/4885

“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.