SCHEMBL18974390

SCHEMBL18974390

COc1ccc(CN(c2ccc(C#N)cc2)c2nc(C(=O)NS(C)(=O)=O)c(Cl)s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.41
▸ SIRT2 Q8IXJ6 2/20 0.39
▸ SNCA P37840 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ GSK3B P49841 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ VNN1 O95497 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP19A1 P11511 2/20 0.36
▸ STS P08842 1/20 0.36
▸ PTGER4 P35408 1/20 0.35
▸ BCL2A1 Q16548 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ LPAR1 Q92633 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35

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
SCHEMBL18974389 0.91 POLB (0.40) SCN9ASIRT2POLB
SCHEMBL18974850 0.90 SCN9A (0.42) SCN9ASIRT2SNCARXFP1GSK3B
SCHEMBL18974402 0.90 SCN9A (0.37) SCN9ANPC1POLB
SCHEMBL18974407 0.90 SCN9A (0.39) SCN9ASMN1; SMN2CYP19A1STSMAPT
SCHEMBL18974392 0.90 RAB9A (0.42) SCN9ASIRT2SMN1; SMN2CYP19A1STS
SCHEMBL18974403 0.90 PTGDR2 (0.42) SCN9ACYP19A1STS
SCHEMBL18974612 0.90 SCN9A (0.41) SCN9ASIRT2SNCARXFP1GSK3B
SCHEMBL18974387 0.90 NSD2 (0.40) SCN9ASIRT2RXFP1VNN1TP53
SCHEMBL18974513 0.89 NR3C2 (0.39) SCN9ASNCANPC1SMN1; SMN2TP53
SCHEMBL18974397 0.87 GCGR (0.40) SCN9AVNN1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3388425-B1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LTD (JP) 2020-08-05 — — EP disclosed
EP-3388425-B1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LTD (JP) 2020-08-05 — — EP disclosed
US-10689354-B2 Aminoazole derivative TEIJIN PHARMA LIMITED (JP) 2020-06-23 — — US disclosed
US-10689354-B2 Aminoazole derivative TEIJIN PHARMA LIMITED (JP) 2020-06-23 — — US disclosed
US-20190031628-A1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2019-01-31 — — US disclosed
US-20190031628-A1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2019-01-31 — — US disclosed
EP-3388425-A1 AMINOAZOLE DERIVATIVE Teijin Pharma Limited (JP) 2018-10-17 — — EP disclosed
WO-2017099237-A1 AMINOAZOLE DERIVATIVE 帝人ファーマ株式会社 2017-06-15 — — 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 (2 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-10689354-B2 Aminoazole derivative AR, NR3C2, NR5A1 SCN9A 930/4885SIRT2 1414/4885SNCA 1532/4885
US-20190031628-A1 AMINOAZOLE DERIVATIVE AR, NR3C2, NR5A1 SCN9A 930/4885SIRT2 1414/4885SNCA 1532/4885

“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.

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