SCHEMBL1336216

SCHEMBL1336216

COc1cccc(C(=O)NC(=O)Nc2ccc(Cl)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 4/20 0.73
POLB P06746 2/20 0.64
ALDH1A1 P00352 3/20 0.62
PKM P14618 1/20 0.62
TRPV1 Q8NER1 1/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDM4E B2RXH2 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KCNK3 O14649 1/20 0.56
KCNK9 Q9NPC2 1/20 0.56
ALOX12 P18054 1/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54

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
SCHEMBL1336412 0.95 POLB (0.70) SMOPOLBALDH1A1PKMMEN1
SCHEMBL1336746 0.87 TRPV1 (0.76) SMOPOLBALDH1A1PKMTRPV1
SCHEMBL1336765 0.85 ALDH1A1 (0.74) SMOPOLBALDH1A1PKMMEN1
SCHEMBL12129968 0.84 SMO (1.00) SMOCYP1A2CYP3A4CYP2C19
SCHEMBL10238305 0.81 KCNK9 (0.69) SMOPOLBALDH1A1PKMMEN1
SCHEMBL1335450 0.81 KCNK9 (0.85) SMOPOLBALDH1A1TRPV1MEN1
SCHEMBL10238385 0.80 MEN1 (0.70) SMOPOLBALDH1A1PKMMEN1
SCHEMBL12129951 0.80 SMO (0.89) SMOMEN1KMT2ACYP1A2CYP3A4
SCHEMBL1336818 0.79 KCNK3 (0.69) SMOALDH1A1PKMMEN1KMT2A
SCHEMBL1337377 0.78 KCNK9 (0.74) SMOPOLBALDH1A1PKMMEN1

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 9 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 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 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 SMO 3/4885POLB 4665/4885ALDH1A1 2206/4885

“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.