SCHEMBL12129883

SCHEMBL12129883

COc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)c3ccc4ccccc4c3)c2)cc(OC)c1OC

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMO Q99835 10/20 0.78
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
CASP3 P42574 2/20 0.61
SENP7 Q9BQF6 2/20 0.61
NQO2 P16083 1/20 0.61
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 3/20 0.55
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL12129855 0.89 SMO (0.78) SMONPC1RAB9ACASP3SENP7
SCHEMBL8211832 0.89 SMO (0.62) SMONPC1RAB9ACASP3SENP7
SCHEMBL12130097 0.88 SMO (0.83) SMONPC1RAB9AMEN1KMT2A
SCHEMBL8859400 0.88 SMO (1.00) SMOMEN1KMT2APOLBALDH1A1
SCHEMBL12129846 0.86 SMO (0.87) SMOMEN1KMT2APOLB
SCHEMBL1337555 0.85 NPC1 (0.73) SMONPC1RAB9ACASP3SENP7
SCHEMBL12130031 0.85 SMO (0.83) SMONPC1MEN1KMT2APOLB
SCHEMBL13666893 0.84 SMO (0.81) SMONPC1RAB9AMEN1KMT2A
SCHEMBL19337490 0.84 SMO (0.70) SMONPC1RAB9ACASP3SENP7
SCHEMBL9709123 0.84 ATM (0.69) NPC1RAB9ACASP3SENP7NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2291352-B1 N-ACYLTHIOUREA AND N-ACYLUREA INHIBITORS OF THE HEDGEHOG PROTEIN SIGNALLING PATHWAY CENTRE NAT RECH SCIENT (FR) 2017-09-13 EP disclosed
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-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
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
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 SMO 3/4885NPC1 857/4885RAB9A 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.