SCHEMBL19405259

SCHEMBL19405259

CNS(=O)(=O)c1ccc(C2C(C(=O)OC)C2(Cl)Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA3 P07451 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA13 Q8N1Q1 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 3/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.37

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
SCHEMBL19378655 0.84 CA1 (0.47) CA12CA1CA2CA4CA6
SCHEMBL19378659 0.84 CA1 (0.47) CA12CA1CA2CA4CA6
SCHEMBL19378658 0.84 CA1 (0.47) CA12CA1CA2CA4CA6
SCHEMBL19378612 0.77 MAPT (0.59) HTTLMNAMAPTMEN1KMT2A
SCHEMBL19378615 0.77 MAPT (0.59) HTTLMNAMAPTMEN1KMT2A
SCHEMBL19378614 0.77 MAPT (0.59) HTTLMNAMAPTMEN1KMT2A
SCHEMBL25870330 0.73 SLC9A1 (0.47) HTTLMNAMAPTMEN1KMT2A
SCHEMBL18147350 0.73 SLC9A1 (0.47) HTTLMNAMAPTMEN1KMT2A
SCHEMBL25870345 0.73 SLC9A1 (0.47) HTTLMNAMAPTMEN1KMT2A
SCHEMBL23933305 0.72 SLC6A3 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275260-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2017-09-28 US 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-20170275260-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 CA12 4597/4885CA1 3053/4885CA2 4353/4885

“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.