SCHEMBL407641

SCHEMBL407641

COC(=O)c1onc(-c2ccccn2)c1C(=O)OC

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
ALDH1A1 P00352 5/20 0.52
GABRA5 P31644 3/20 0.49
PTGS1 P23219 3/20 0.48
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AXL P30530 1/20 0.40
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
CASP1 P29466 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL408224 0.92 POLB (0.49) POLBALDH1A1GABRA5PTGS1GAA
SCHEMBL6315512 0.85 LMNA (0.56) POLBALDH1A1GABRA5PTGS1GAA
SCHEMBL2568217 0.80 PTGS1 (0.73) POLBALDH1A1GABRA5PTGS1GAA
SCHEMBL409574 0.77 PTPN1 (0.46) POLBALDH1A1GABRA5KDM4EHSD17B10
SCHEMBL29907537 0.75 L3MBTL1 (0.50) POLBALDH1A1GABRA5KDM4EHSD17B10
SCHEMBL17725787 0.75 L3MBTL1 (0.50) POLBALDH1A1GABRA5KDM4EHSD17B10
SCHEMBL1805715 0.75 LMNA (0.48) ALDH1A1GABRA5KDM4EHSD17B10RAB9A
SCHEMBL812066 0.74 AXL (0.47) POLBALDH1A1GABRA5KDM4EHSD17B10
SCHEMBL10922747 0.74 LRRK2 (0.42) POLBALDH1A1GABRA5GAAKDM4E
SCHEMBL286334 0.73 POLB (0.54) POLBALDH1A1GABRA5KDM4ELMNA

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-8404672-B2 Substituted heterocyclic compounds BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-03-26 US disclosed
US-8404672-B2 Substituted heterocyclic compounds BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-03-26 US disclosed
US-8404672-B2 Substituted heterocyclic compounds BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-03-26 US disclosed
US-20120022041-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-26 US disclosed
US-20120022041-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-26 US disclosed
EP-2389377-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES Bristol-Myers Squibb Company (US) 2011-11-30 EP disclosed
US-8038731-B2 hair dyes contains naphthylimide thiol or disulphide groups; resistant and visible lightening effect on dark keratin fibres; cosmetics L'OREAL S.A. (FR) 2011-10-18 US disclosed
WO-2010085582-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-29 WO disclosed
WO-2010053162-A1 NON-AQUEOUS ELECTROLYSIS SOLUTION CONTAINING PYRIDYL 5-MEMBERED HETEROCYCLIC DERIVATIVE, AND LITHIUM SECONDARY BATTERY 三井化学株式会社 (JP) 2010-05-14 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-20120022041-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS S1PR1, S1PR4, S1PR3 POLB 3728/4885ALDH1A1 2144/4885GABRA5 981/4885

“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.