SCHEMBL23769055

SCHEMBL23769055

O=S(=O)(Nc1ccc2c(c1)OCCN2c1ccccc1)Nc1ccc2cc[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.46
HTR6 P50406 1/20 0.42
ESR1 P03372 5/20 0.40
CYP19A1 P11511 2/20 0.40
SCN5A Q14524 3/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
NUDT1 P36639 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
SCHEMBL30343007 1.00 SCN9A (0.46) SCN9AHTR6ESR1CYP19A1SCN5A
SCHEMBL29979571 0.86 MAPT (0.41) SCN9AESR1
SCHEMBL23769056 0.86 MAPT (0.41) SCN9AESR1
SCHEMBL29978551 0.85 SCN9A (0.39) SCN9AHTR6SCN5APSEN1PSEN2
SCHEMBL30895148 0.78 KDM4E (0.48)
SCHEMBL25028039 0.78 KDM4E (0.48)
SCHEMBL23768832 0.78 TRPV1 (0.43) ESR1
SCHEMBL29978948 0.78 TRPV1 (0.43) ESR1
SCHEMBL23769044 0.77 AR (0.42) SCN9AHTR6ESR1CYP19A1
SCHEMBL29979459 0.77 AR (0.42) SCN9AHTR6ESR1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2023-04-20 US disclosed
WO-2021161230-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2021-08-19 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-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS STING1, CGAS, MAVS SCN9A 2284/4885HTR6 3635/4885ESR1 4033/4885

“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.