SCHEMBL17458754

SCHEMBL17458754

NS(=O)(=O)c1ccc2c(c1)C1C=CCC1C(c1cccnc1)N2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.68
CA1 P00915 3/20 0.68
CA2 P00918 3/20 0.68
CA9 Q16790 3/20 0.68
CHRNA7 P36544 2/20 0.68
AR P10275 1/20 0.68
MAPT P10636 10/20 0.58
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
ALDH1A1 P00352 5/20 0.58
ALOX15 P16050 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
USP2 O75604 2/20 0.58
CASP1 P29466 1/20 0.58
GAPDH P04406 1/20 0.57
HSPA1A P0DMV8 1/20 0.57
PTPN7 P35236 1/20 0.57
KDM4E B2RXH2 5/20 0.54
ALOX12 P18054 1/20 0.54
USP7 Q93009 1/20 0.51

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
SCHEMBL17464564 1.00 CA12 (0.68) CA12CA1CA2CA9CHRNA7
SCHEMBL17464648 0.87 CA12 (0.77) CA12CA1CA2CA9CHRNA7
SCHEMBL17458846 0.87 CA12 (0.77) CA12CA1CA2CA9CHRNA7
SCHEMBL5524785 0.87 CA12 (0.80) CA12CA1CA2CA9CHRNA7
SCHEMBL17458837 0.85 CA12 (0.87) CA12CA1CA2CA9CHRNA7
SCHEMBL17464435 0.85 CA12 (0.87) CA12CA1CA2CA9CHRNA7
SCHEMBL16168697 0.84 MAPT (0.54) CA12CA1CA2CA9CHRNA7
SCHEMBL17464674 0.83 CHRNA7 (0.76) CA12CA1CA2CA9CHRNA7
SCHEMBL17458768 0.83 CHRNA7 (0.76) CA12CA1CA2CA9CHRNA7
SCHEMBL5527115 0.82 CA12 (0.69) CA12CA1CA2CA9CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11299496-B2 Ligands for alpha-7 nicotinic acetylcholine receptors and methods of treating neurological and inflammatory conditions NORTHEASTERN UNIVERSITY (US) 2022-04-12 US disclosed
US-20170217984-A1 Ligands for Alpha-7 Nicotinic Acetylcholine Receptors and Methods of Treating Neurological and Inflammatory Conditions NORTHEASTERN UNIVERSITY 2017-08-03 US disclosed
EP-3180086-A1 LIGANDS FOR ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS AND METHODS OF TREATING NEUROLOGICAL AND INFLAMMATORY CONDITIONS Northeastern University (US) 2017-06-21 EP disclosed
WO-2016014847-A1 LIGANDS FOR ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS AND METHODS OF TREATING NEUROLOGICAL AND INFLAMMATORY CONDITIONS NORTHEASTERN UNIVERSITY (US) 2016-01-28 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-20170217984-A1 Ligands for Alpha-7 Nicotinic Acetylcholine Receptors and Methods of Treating Neurological and Inflammatory Conditions CHRNA7, CHRNA10, CHRNA5 CA12 4619/4885CA1 3072/4885CA2 3856/4885
US-11299496-B2 Ligands for alpha-7 nicotinic acetylcholine receptors and methods of treating neurological and inflammatory conditions CHRNA7, CHRNA10, CHRNA5 CA12 4619/4885CA1 3072/4885CA2 3856/4885

“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.