SCHEMBL2416403

SCHEMBL2416403

CC1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)CNCC4)no2)cc1C#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 1.00
S1PR3 Q99500 2/20 0.55
ASIC3 Q9UHC3 1/20 0.49
KCNH2 Q12809 1/20 0.48
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.43

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
SCHEMBL12277773 0.88 S1PR1 (0.79) S1PR1S1PR3ASIC3TP53POLB
SCHEMBL2412287 0.85 S1PR1 (1.00) S1PR1ASIC3TP53POLB
SCHEMBL2414988 0.82 S1PR1 (1.00) S1PR1ASIC3TP53POLB
SCHEMBL2422263 0.82 S1PR1 (0.94) S1PR1S1PR3ASIC3TP53POLB
SCHEMBL2415287 0.81 S1PR1 (0.70) S1PR1S1PR3TP53POLB
SCHEMBL2485797 0.81 S1PR1 (0.65) S1PR1S1PR3KCNH2TP53
SCHEMBL2410798 0.79 S1PR1 (0.65) S1PR1TP53POLB
SCHEMBL28784737 0.78 S1PR1 (0.76) S1PR1TP53POLB
SCHEMBL2775785 0.77 S1PR1 (0.63) S1PR1TP53POLB
SCHEMBL2417738 0.77 S1PR1 (0.62) S1PR1S1PR3KCNH2TP53POLB

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
EP-2376484-B1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO SA (CH) 2015-04-22 EP disclosed
EP-2376484-B1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO SA (CH) 2015-04-22 EP disclosed
CN-102245602-B Oxadiazole fused heterocyclic derivatives useful for the treatment of multiple sclerosis MERCK SERONO SA 2014-09-10 CN disclosed
US-8741923-B2 Oxadiazole fused heterocyclic derivatives useful for the treatment of multiple sclerosis MERCK SERONO SA (CH) 2014-06-03 US disclosed
US-8741923-B2 Oxadiazole fused heterocyclic derivatives useful for the treatment of multiple sclerosis MERCK SERONO SA (CH) 2014-06-03 US disclosed
US-8741923-B2 Oxadiazole fused heterocyclic derivatives useful for the treatment of multiple sclerosis MERCK SERONO SA (CH) 2014-06-03 US disclosed
CN-102245602-A Oxadiazole fused heterocyclic derivatives useful for the treatment of multiple sclerosis MERCK SERONO SA 2011-11-16 CN disclosed
US-20110230518-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO S.A. (CH) 2011-09-22 US disclosed
US-20110230518-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO S.A. (CH) 2011-09-22 US disclosed
US-20110230518-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO S.A. (CH) 2011-09-22 US disclosed
WO-2010069949-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO S.A. (CH) 2010-06-24 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-20110230518-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS PMP22, AQP4, NDUFS3 S1PR1 402/4885S1PR3 307/4885ASIC3 2399/4885

“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.