SCHEMBL12188773

SCHEMBL12188773

Cn1c(C(=O)N2CCC(S(=O)(=O)c3cccc(O)c3)CC2)cc2cc(F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ AHR P35869 1/20 0.45
▸ HTR2A P28223 5/20 0.41
▸ HTR2C P28335 5/20 0.41
▸ KCNH2 Q12809 5/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ CLK1 P49759 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ DYRK1B Q9Y463 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SPR P35270 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ GPR6 P46095 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL12188744 0.92 HTR2A (0.41) AHRHTR2AHTR2CKCNH2DRD2
SCHEMBL1811520 0.86 CACNA1B (0.50) KDM4EALDH1A1HPGDHSD17B10AHR
SCHEMBL1810369 0.84 AHR (0.56) KDM4EALDH1A1HPGDHSD17B10AHR
SCHEMBL1809430 0.78 CACNA1B (0.50) HTR2AHTR2CKCNH2DRD2TP53
SCHEMBL1811395 0.77 HTR2A (0.49) AHRHTR2AHTR2CKCNH2DRD2
SCHEMBL7486604 0.76 AHR (0.60) KDM4EALDH1A1HPGDHSD17B10AHR
SCHEMBL23470239 0.74 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10AHR
SCHEMBL9410535 0.73 HSD11B1 (0.57) KDM4EALDH1A1AHRGAASMN1; SMN2
SCHEMBL1808433 0.73 AHR (0.53) AHRHTR2AHTR2CKCNH2DRD2
SCHEMBL1809674 0.69 AHR (0.57) KDM4EALDH1A1HPGDHSD17B10AHR

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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B KDM4E 1141/4885ALDH1A1 787/4885HPGD 1786/4885

“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.

Send feedback