SCHEMBL1337555

SCHEMBL1337555

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

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.73
RAB9A P51151 7/20 0.73
MEN1 O00255 5/20 0.73
KMT2A Q03164 5/20 0.73
KCNK9 Q9NPC2 3/20 0.69
KCNK3 O14649 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.64
TSHR P16473 1/20 0.64
PLAU P00749 2/20 0.63
RXFP1 Q9HBX9 1/20 0.62
CASP3 P42574 2/20 0.62
SENP7 Q9BQF6 2/20 0.62
ALDH1A1 P00352 1/20 0.62
POLB P06746 1/20 0.61
NLRP3 Q96P20 1/20 0.61
TP53 P04637 1/20 0.60
SMO Q99835 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP6 Q9GZR1 1/20 0.58

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
SCHEMBL1335450 0.90 KCNK9 (0.85) NPC1RAB9AMEN1KMT2AKCNK9
SCHEMBL1337377 0.89 KCNK9 (0.74) NPC1RAB9AMEN1KMT2AKCNK9
SCHEMBL1335388 0.89 RAB9A (0.70) NPC1RAB9AMEN1KMT2AKCNK9
SCHEMBL8085694 0.88 NPC1 (0.80) NPC1RAB9AMEN1KMT2AKCNK9
SCHEMBL1336746 0.87 TRPV1 (0.76) NPC1RAB9AMEN1KMT2AKCNK9
SCHEMBL1336818 0.86 KCNK3 (0.69) NPC1RAB9AMEN1KMT2AKCNK9
SCHEMBL12129883 0.85 SMO (0.78) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL1337518 0.84 KCNK9 (0.84) NPC1RAB9AMEN1KMT2AKCNK9
SCHEMBL30862297 0.81 RXFP1 (0.94) NPC1RAB9AMEN1KMT2AKCNK9
SCHEMBL4251968 0.81 RXFP1 (0.94) NPC1RAB9AMEN1KMT2AKCNK9

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 NPC1 857/4885RAB9A 1454/4885MEN1 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.