SCHEMBL1337359

SCHEMBL1337359

COc1cccc(C(=O)NC(=S)Nc2ccc(OC)c(NC(=O)c3ccccc3)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
ALDH1A1 P00352 7/20 0.63
ALOX12 P18054 4/20 0.63
SMO Q99835 4/20 0.63
SMN1; SMN2 Q16637 5/20 0.62
RAB9A P51151 5/20 0.62
NPC1 O15118 4/20 0.62
MAPT P10636 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
LMNA P02545 2/20 0.62
GAA P10253 1/20 0.62
MAPK1 P28482 1/20 0.62
CASP3 P42574 1/20 0.62
HTT P42858 1/20 0.62
SENP8 Q96LD8 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
SENP6 Q9GZR1 1/20 0.62
KCNK3 O14649 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
SCHEMBL1336803 0.89 ALDH1A1 (0.73) MEN1KMT2AALDH1A1ALOX12SMO
SCHEMBL1336765 0.88 ALDH1A1 (0.74) MEN1KMT2AALDH1A1ALOX12SMO
SCHEMBL1336770 0.88 RAB9A (0.63) MEN1KMT2AALDH1A1ALOX12SMO
SCHEMBL1337488 0.87 KCNK9 (0.81) MEN1KMT2AALDH1A1ALOX12SMO
SCHEMBL12129915 0.86 SMO (0.83) ALDH1A1ALOX12SMOSMN1; SMN2RAB9A
SCHEMBL24769827 0.84 RAB9A (0.74) MEN1KMT2AALDH1A1ALOX12SMO
SCHEMBL5713610 0.83 ALDH1A1 (0.62) MEN1KMT2AALDH1A1ALOX12SMO
SCHEMBL1336791 0.83 KCNK3 (0.73) MEN1KMT2AALDH1A1ALOX12SMO
SCHEMBL1337398 0.82 KMT2A (0.66) MEN1KMT2AALDH1A1ALOX12SMN1; SMN2
SCHEMBL1337469 0.82 TRPV1 (0.72) MEN1KMT2AALDH1A1ALOX12SMO

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 MEN1 3506/4885KMT2A 1658/4885ALDH1A1 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.