SCHEMBL1337469

SCHEMBL1337469

COc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.72
SMO Q99835 3/20 0.72
KCNK9 Q9NPC2 2/20 0.72
KCNK3 O14649 1/20 0.72
MEN1 O00255 5/20 0.71
KMT2A Q03164 5/20 0.71
POLB P06746 1/20 0.71
RAB9A P51151 8/20 0.66
NPC1 O15118 7/20 0.66
ALDH1A1 P00352 7/20 0.66
SMN1; SMN2 Q16637 6/20 0.66
MIF P14174 1/20 0.66
NLRP3 Q96P20 1/20 0.64
ALOX12 P18054 4/20 0.64
LMNA P02545 3/20 0.64
ADORA3 P0DMS8 1/20 0.62
MAPT P10636 2/20 0.60
MAPK1 P28482 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
TSHR P16473 1/20 0.60

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
SCHEMBL1337488 0.94 KCNK9 (0.81) SMOKCNK9KCNK3MEN1KMT2A
SCHEMBL1336273 0.91 KCNK9 (0.70) SMOKCNK9KCNK3MEN1KMT2A
SCHEMBL1336791 0.91 KCNK3 (0.73) SMOKCNK9KCNK3MEN1KMT2A
SCHEMBL1336746 0.89 TRPV1 (0.76) TRPV1SMOKCNK9KCNK3MEN1
SCHEMBL1337468 0.89 KCNK9 (0.80) SMOKCNK9KCNK3MEN1KMT2A
SCHEMBL1335388 0.88 RAB9A (0.70) SMOKCNK9KCNK3MEN1KMT2A
SCHEMBL1337740 0.88 ALDH1A1 (0.67) SMOKCNK9KCNK3MEN1KMT2A
SCHEMBL12129902 0.88 MEN1 (0.81) SMOKCNK9KCNK3MEN1KMT2A
SCHEMBL24769827 0.87 RAB9A (0.74) TRPV1SMOKCNK9KCNK3MEN1
SCHEMBL1336415 0.86 KCNK3 (0.66) SMOKCNK9KCNK3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073835-B2 N-acylthiourea and N-acylurea inhibitors of the Hedgehog protein signalling pathway CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-07-07 US claimed
US-20110275663-A1 N-Acylthiourea and N-Acylurea Inhibitors of the Hedgehog Protein Signalling Pathway CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-11-10 US claimed
EP-2291352-A2 N-ACYLTHIOUREA AND N-ACYLUREA INHIBITORS OF THE HEDGEHOG PROTEIN SIGNALLING PATHWAY Centre National de la Recherche Scientifique (FR) 2011-03-09 EP claimed
WO-2009130422-A2 N-ACYLTHIOUREA AND N-ACYLUREA INHIBITORS OF THE HEDGEHOG PROTEIN SIGNALLING PATHWAY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-10-29 WO claimed
US-9073835-B2 N-acylthiourea and N-acylurea inhibitors of the Hedgehog protein signalling pathway CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-07-07 US disclosed
US-20110275663-A1 N-Acylthiourea and N-Acylurea Inhibitors of the Hedgehog Protein Signalling Pathway CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-11-10 US disclosed
EP-2291352-A2 N-ACYLTHIOUREA AND N-ACYLUREA INHIBITORS OF THE HEDGEHOG PROTEIN SIGNALLING PATHWAY Centre National de la Recherche Scientifique (FR) 2011-03-09 EP disclosed
WO-2009130422-A2 N-ACYLTHIOUREA AND N-ACYLUREA INHIBITORS OF THE HEDGEHOG PROTEIN SIGNALLING PATHWAY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-10-29 WO 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-20110275663-A1 N-Acylthiourea and N-Acylurea Inhibitors of the Hedgehog Protein Signalling Pathway SHH, GLI1, SMO TRPV1 3310/4885SMO 3/4885KCNK9 4296/4885

“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.