SCHEMBL14802424

SCHEMBL14802424

NCc1ccc(N2CCS(=O)(=O)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 5/20 0.52
AOC3 Q16853 5/20 0.42
ADRA1A P35348 2/20 0.38
CNR2 P34972 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PRMT5 O14744 1/20 0.36
ACHE P22303 1/20 0.36
ALOX5AP P20292 1/20 0.36

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
SCHEMBL13498412 0.84 WNT3A (0.52) WNT3AAOC3ADRA1AMEN1KMT2A
SCHEMBL10254779 0.82 AOC3 (0.54) AOC3CNR2OPRM1CYP11B1CYP11B2
SCHEMBL31369460 0.81 WNT3A (0.53) WNT3AAOC3
SCHEMBL12675278 0.81 HTR3A (0.47) AOC3KMT2A
SCHEMBL23683824 0.81 WNT3A (0.64) WNT3AAOC3ADRA1AACHE
SCHEMBL10254758 0.80 AOC3 (0.55) AOC3CNR2
Hydrochloric Acid SCHEMBL5010436 0.80 AOC3 (0.52) AOC3CNR2OPRM1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL5009806 0.79 HTR3A (0.46) AOC3KMT2A
Hydrochloric Acid SCHEMBL5008435 0.79 AOC3 (0.53) AOC3CNR2OPRM1
SCHEMBL2253910 0.79 GRIN2D (0.49) WNT3AADRA1ACNR2OPRM1OPRL1

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-9181235-B2 Substituted pyridines for modulating the WNT signaling pathway NOVARTIS AG (CH) 2015-11-10 US disclosed
US-9181235-B2 Substituted pyridines for modulating the WNT signaling pathway NOVARTIS AG (CH) 2015-11-10 US disclosed
US-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2013-03-28 US disclosed
US-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2013-03-28 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-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY WNT3A, WNT1, WNT3 WNT3A 1/4885AOC3 4525/4885ADRA1A 1135/4885

“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.