SCHEMBL1342152

SCHEMBL1342152

COc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)C3CCCCC3)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
ALDH1A1 P00352 7/20 0.60
RAB9A P51151 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
ALOX12 P18054 3/20 0.59
MAPT P10636 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
NPC1 O15118 3/20 0.58
LMNA P02545 2/20 0.58
GAA P10253 2/20 0.58
MAPK1 P28482 1/20 0.58
CASP3 P42574 1/20 0.58
HTT P42858 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
KCNK3 O14649 2/20 0.57
KCNK9 Q9NPC2 2/20 0.57

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
SCHEMBL12129851 0.84 SMO (0.67) ALDH1A1SMN1; SMN2ALOX12MAPTTDP1
SCHEMBL19337799 0.84 SMO (0.67) ALDH1A1SMN1; SMN2ALOX12MAPTTDP1
SCHEMBL1336791 0.84 KCNK3 (0.73) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL30605277 0.83 MTNR1A (0.71) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL25938747 0.83 MTNR1A (0.71) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL12302912 0.82 MTNR1A (0.73) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL1337488 0.81 KCNK9 (0.81) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL1336273 0.80 KCNK9 (0.70) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL10069481 0.79 KCNK9 (0.73) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL10144000 0.79 ALDH1A1 (0.71) MEN1KMT2AALDH1A1RAB9ASMN1; 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 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.