SCHEMBL1337488

SCHEMBL1337488

COc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)c1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK9 Q9NPC2 3/20 0.81
KCNK3 O14649 2/20 0.81
RAB9A P51151 8/20 0.71
NPC1 O15118 7/20 0.71
SMN1; SMN2 Q16637 6/20 0.71
NLRP3 Q96P20 1/20 0.71
SMO Q99835 1/20 0.71
ALDH1A1 P00352 7/20 0.70
ALOX12 P18054 5/20 0.70
LMNA P02545 2/20 0.70
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
POLB P06746 1/20 0.67
TSHR P16473 1/20 0.67
MAPT P10636 2/20 0.66
GAA P10253 1/20 0.66
MAPK1 P28482 1/20 0.66
CASP3 P42574 1/20 0.66
HTT P42858 1/20 0.66
SENP8 Q96LD8 1/20 0.66

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
SCHEMBL1336791 0.96 KCNK3 (0.73) KCNK9KCNK3RAB9ANPC1SMN1; SMN2
SCHEMBL1337469 0.94 TRPV1 (0.72) KCNK9KCNK3RAB9ANPC1SMN1; SMN2
SCHEMBL1336273 0.94 KCNK9 (0.70) KCNK9KCNK3RAB9ANPC1SMN1; SMN2
SCHEMBL12129902 0.93 MEN1 (0.81) KCNK9KCNK3RAB9ANPC1SMN1; SMN2
SCHEMBL24769827 0.92 RAB9A (0.74) KCNK9KCNK3RAB9ANPC1SMN1; SMN2
SCHEMBL1337468 0.91 KCNK9 (0.80) KCNK9KCNK3RAB9ANPC1SMN1; SMN2
SCHEMBL1337740 0.91 ALDH1A1 (0.67) KCNK9KCNK3RAB9ANPC1SMN1; SMN2
SCHEMBL1336245 0.91 KCNK3 (0.66) KCNK9KCNK3RAB9ANPC1SMN1; SMN2
SCHEMBL1336415 0.91 KCNK3 (0.66) KCNK9KCNK3RAB9ANPC1SMN1; SMN2
SCHEMBL1335388 0.91 RAB9A (0.70) KCNK9KCNK3RAB9ANPC1SMN1; SMN2

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 KCNK9 4296/4885KCNK3 4400/4885RAB9A 1454/4885

“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.