SCHEMBL1336753

SCHEMBL1336753

COc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccco3)c2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.75
▸ SMN1; SMN2 Q16637 6/20 0.71
▸ RAB9A P51151 4/20 0.71
▸ NPC1 O15118 3/20 0.71
▸ L3MBTL1 Q9Y468 1/20 0.71
▸ MAPT P10636 8/20 0.70
▸ MEN1 O00255 4/20 0.70
▸ KMT2A Q03164 4/20 0.70
▸ KDM4E B2RXH2 2/20 0.64
▸ LMNA P02545 4/20 0.64
▸ GAA P10253 2/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ TSHR P16473 3/20 0.62
▸ USP2 O75604 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CYP2C19 P33261 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
SCHEMBL1336791 0.88 KCNK3 (0.73) ALDH1A1SMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL7162285 0.85 NPC1 (0.83) ALDH1A1SMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL1337488 0.84 KCNK9 (0.81) ALDH1A1SMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL12129875 0.84 ALDH1A1 (0.88) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6632076 0.84 NPC1 (1.00) ALDH1A1SMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL1336273 0.83 KCNK9 (0.70) ALDH1A1SMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL14096333 0.81 HTT (0.77) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL1337740 0.81 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL1335388 0.81 RAB9A (0.70) ALDH1A1SMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL10144000 0.80 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2RAB9ANPC1L3MBTL1

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 2206/4885SMN1; SMN2 1947/4885RAB9A 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.

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