SCHEMBL6519016

SCHEMBL6519016

Nc1c(-c2ccc(Cl)cc2Cl)nnn1Cc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.45
CA1 P00915 8/20 0.44
CA2 P00918 8/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 6/20 0.44
CA12 O43570 5/20 0.44
GRM2 Q14416 1/20 0.44
PTGS1 P23219 1/20 0.43
TDO2 P48775 1/20 0.42
MAPT P10636 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CHRNA7 P36544 1/20 0.40

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
SCHEMBL3411785 0.83 GRM2 (0.47) GRM2TDO2MAPT
SCHEMBL6521129 0.80 CXCR2 (0.49) GRM2MAPT
SCHEMBL6516304 0.77 GRM2 (0.48) PTGS2CA1CA2CA4CA7
SCHEMBL3433545 0.71 CA2 (0.44) PTGS2CA1CA2CA4CA7
SCHEMBL7779461 0.67 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7777653 0.64 PTGS2 (0.48) PTGS2CA1CA2CA4CA7
SCHEMBL6525915 0.63 SLC9A1 (0.48) MAPT
SCHEMBL27816697 0.62 CA2 (0.75) PTGS2CA1CA2CA4CA7
P-Chlorobenzenesulfonamide SCHEMBL196556 0.61 CA2 (1.00) PTGS2CA1CA2CA4CA7
P-Chlorobenzenesulfonamide SCHEMBL31527679 0.61 CA2 (1.00) PTGS2CA1CA2CA4CA7

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-20110060017-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-03-10 US claimed
US-20110060017-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-03-10 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-20110060017-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA3, CHRNA5, CHRNB3 PTGS2 1317/4885CA1 3520/4885CA2 3061/4885

“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.