SCHEMBL1335388

SCHEMBL1335388

COc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc4ccccc4c3)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.70
NPC1 O15118 8/20 0.70
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
KCNK3 O14649 2/20 0.66
KCNK9 Q9NPC2 2/20 0.66
ALDH1A1 P00352 6/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
ALOX12 P18054 3/20 0.61
LMNA P02545 2/20 0.61
TSHR P16473 1/20 0.61
CASP3 P42574 2/20 0.61
SENP7 Q9BQF6 2/20 0.61
GAA P10253 1/20 0.61
MAPT P10636 1/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
TDP1 Q9NUW8 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 0.92 KCNK3 (0.73) RAB9ANPC1MEN1KMT2AKCNK3
SCHEMBL1337488 0.91 KCNK9 (0.81) RAB9ANPC1MEN1KMT2AKCNK3
SCHEMBL1336273 0.90 KCNK9 (0.70) RAB9ANPC1MEN1KMT2AKCNK3
SCHEMBL1337555 0.89 NPC1 (0.73) RAB9ANPC1MEN1KMT2AKCNK3
SCHEMBL1337469 0.88 TRPV1 (0.72) RAB9ANPC1MEN1KMT2AKCNK3
SCHEMBL1337740 0.87 ALDH1A1 (0.67) RAB9ANPC1MEN1KMT2AKCNK3
SCHEMBL12129855 0.86 SMO (0.78) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL1337541 0.86 ALDH1A1 (0.63) RAB9ANPC1MEN1KMT2AKCNK3
SCHEMBL8085694 0.86 NPC1 (0.80) RAB9ANPC1MEN1KMT2AKCNK3
SCHEMBL1337468 0.85 KCNK9 (0.80) RAB9ANPC1MEN1KMT2AKCNK3

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 4 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
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

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 RAB9A 1454/4885NPC1 857/4885MEN1 3506/4885

“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.