SCHEMBL6501931

SCHEMBL6501931

COC(=O)c1ccc2nc(C)n(Cc3ccc(N(C)CC4CCCCC4)cc3Cl)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.37
CDK9 P50750 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTAFR P25105 1/20 0.33
PPARG P37231 1/20 0.33
BACE1 P56817 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRK1 P41145 1/20 0.32
UTS2R Q9UKP6 1/20 0.32
CNR2 P34972 1/20 0.32
ALOX5AP P20292 1/20 0.32
NQO2 P16083 1/20 0.32

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
SCHEMBL6505568 0.91 TRPV1 (0.37) TRPV1CDK9DYRK1ADYRK2ALOX5
SCHEMBL6502592 0.87 CDK9 (0.33) CDK9DYRK1ADYRK2MAPTALDH1A1
SCHEMBL6301183 0.85 NQO2 (0.42) MAPTALDH1A1SMN1; SMN2PPARGBACE1
SCHEMBL6299248 0.85 P2RX3 (0.38) CDK9DYRK1ADYRK2MAPTALDH1A1
SCHEMBL6494280 0.84 PTGS2 (0.36) TRPV1PTAFRPPARGCNR2KDM4E
SCHEMBL6491816 0.84 CDK9 (0.39) CDK9DYRK1ADYRK2MAPTALDH1A1
SCHEMBL6298703 0.83 ALOX5AP (0.40) CDK9DYRK1ADYRK2MAPTALDH1A1
SCHEMBL8139066 0.83 PPARG (0.41) TRPV1MAPTALDH1A1SMN1; SMN2PPARG
SCHEMBL6493826 0.83 PPARG (0.52) TRPV1PPARGCNR2
SCHEMBL6300277 0.82 PPARG (0.42) TRPV1MAPTALDH1A1SMN1; SMN2PPARG

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-6890934-B2 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-05-10 US disclosed
US-20030171396-A1 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-11 US disclosed
US-6573274-B1 Treatment of the diseases curable based on a hypoglycemic action, and the diseases curable based on a cGMP-PDE inhibitory action, a smooth muscle relaxing action, a bronchodilating action, a vasodilating action, a smooth muscle FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-03 US disclosed
EP-1136492-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF AS MEDICINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-26 EP 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-20030171396-A1 Sulfonamide compounds and uses thereof as medicines PDE2A, PDE3A, PDE5A TRPV1 257/4885CDK9 1879/4885DYRK1A 2629/4885

“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.