SCHEMBL4028424

SCHEMBL4028424

CNCc1ccc(C2=NCCN2C)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.38
CHKA P35790 1/20 0.37
F10 P00742 11/20 0.36
KLK1 P06870 1/20 0.34
PTAFR P25105 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL5118107 0.81 PTGS2 (0.37) PTGS2SLC6A4
SCHEMBL4034393 0.77 NCF1 (0.44) F10
SCHEMBL5110409 0.76 F10 (0.39) PTGS2F10KLK1
SCHEMBL14085132 0.72 TOP2A (0.44) PTGS2F10
SCHEMBL6206505 0.71 NISCH (0.57)
SCHEMBL18297326 0.70 HTT (0.41)
SCHEMBL2239180 0.69 TAAR1 (0.42)
Hydrochloric Acid SCHEMBL1935594 0.68 TAAR1 (0.41)
Water SCHEMBL9451273 0.66 PTAFR (0.43) F10PTAFR
Water SCHEMBL9451270 0.66 PTAFR (0.43) F10PTAFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521744-B1 ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS B1 BRADYKININ RECEPTOR ANTAGONISTS FOURNIER LAB SA (FR) 2009-04-01 EP disclosed
US-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US disclosed
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents LABORATOIRES FOURNIER SA (FR) 2006-04-20 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-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents UGT1A1, UGT2B7, UGT1A6 PTGS2 963/4885CHKA 2110/4885F10 4554/4885

“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.