SCHEMBL1336765

SCHEMBL1336765

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.74
ALOX12 P18054 5/20 0.74
SMO Q99835 2/20 0.73
POLB P06746 1/20 0.67
PKM P14618 1/20 0.65
SMN1; SMN2 Q16637 5/20 0.61
MAPT P10636 3/20 0.61
RAB9A P51151 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
NPC1 O15118 1/20 0.61
LMNA P02545 1/20 0.61
GAA P10253 1/20 0.61
MAPK1 P28482 1/20 0.61

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 0.89 POLB (0.70) ALDH1A1ALOX12SMOPOLBPKM
SCHEMBL1336803 0.88 ALDH1A1 (0.73) ALDH1A1ALOX12SMOSMN1; SMN2MAPT
SCHEMBL1337359 0.88 MEN1 (0.67) ALDH1A1ALOX12SMOSMN1; SMN2MAPT
SCHEMBL1336770 0.88 RAB9A (0.63) ALDH1A1ALOX12SMOPOLBSMN1; SMN2
SCHEMBL1336245 0.86 KCNK3 (0.66) ALDH1A1ALOX12SMOSMN1; SMN2MAPT
SCHEMBL1337488 0.86 KCNK9 (0.81) ALDH1A1ALOX12SMOPOLBSMN1; SMN2
SCHEMBL1336216 0.85 SMO (0.73) ALDH1A1ALOX12SMOPOLBPKM
SCHEMBL12129958 0.84 SMO (1.00) ALDH1A1ALOX12SMOSMN1; SMN2CYP1A2
SCHEMBL24769827 0.83 RAB9A (0.74) ALDH1A1ALOX12SMOSMN1; SMN2MAPT
SCHEMBL10238385 0.82 MEN1 (0.70) ALDH1A1SMOPOLBPKMSMN1; 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 ALDH1A1 2206/4885ALOX12 3685/4885SMO 3/4885

“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.