SCHEMBL1336746

SCHEMBL1336746

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

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.76
KCNK9 Q9NPC2 3/20 0.75
KCNK3 O14649 2/20 0.75
KMT2A Q03164 6/20 0.74
MEN1 O00255 5/20 0.74
POLB P06746 1/20 0.74
NPC1 O15118 5/20 0.67
RAB9A P51151 5/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
NLRP3 Q96P20 1/20 0.67
ADORA3 P0DMS8 1/20 0.65
SMO Q99835 1/20 0.64
TSHR P16473 2/20 0.62
ALOX15 P16050 1/20 0.61
HSD17B10 Q99714 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
ALDH1A1 P00352 2/20 0.60
TP53 P04637 2/20 0.60
PKM P14618 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
SCHEMBL1335450 0.94 KCNK9 (0.85) TRPV1KCNK9KCNK3KMT2AMEN1
SCHEMBL1337377 0.91 KCNK9 (0.74) KCNK9KCNK3KMT2AMEN1POLB
SCHEMBL1337469 0.89 TRPV1 (0.72) TRPV1KCNK9KCNK3KMT2AMEN1
SCHEMBL1337518 0.88 KCNK9 (0.84) TRPV1KCNK9KCNK3KMT2AMEN1
SCHEMBL12259160 0.88 SIRT1 (0.69) TRPV1KCNK9KCNK3KMT2AMEN1
SCHEMBL1336818 0.87 KCNK3 (0.69) KCNK9KCNK3KMT2AMEN1NPC1
SCHEMBL1337555 0.87 NPC1 (0.73) KCNK9KCNK3KMT2AMEN1POLB
SCHEMBL4253111 0.87 TRPV1 (1.00) TRPV1KCNK9KCNK3KMT2AMEN1
SCHEMBL1336216 0.87 SMO (0.73) TRPV1KCNK9KCNK3KMT2AMEN1
SCHEMBL12129846 0.83 SMO (0.87) TRPV1KMT2AMEN1POLBADORA3

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 3310/4885KCNK9 4296/4885KCNK3 4400/4885

“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.