SCHEMBL4540503

SCHEMBL4540503

COc1ccc2oc(C(=O)NC(=S)Nc3cccc(OCc4ccccc4)c3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
ALDH1A1 P00352 2/20 0.51
LRRK2 Q5S007 1/20 0.50
BCAT1 P54687 1/20 0.50
MAPT P10636 6/20 0.49
POLB P06746 3/20 0.49
TP53 P04637 3/20 0.49
MAOB P27338 3/20 0.49
MAOA P21397 1/20 0.49
ADORA3 P0DMS8 1/20 0.47
ADORA1 P30542 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47

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
SCHEMBL13956758 0.90 MEN1 (0.62) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL4361550 0.89 MEN1 (0.65) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL4365920 0.89 MEN1 (0.54) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL4358731 0.88 MEN1 (0.57) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL14096101 0.88 MEN1 (0.57) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL4366945 0.88 MEN1 (0.57) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL4360435 0.88 KMT2A (0.57) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL4366281 0.85 KMT2A (0.54) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL13956767 0.84 MEN1 (0.57) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL2916577 0.84 ALDH1A1 (0.58) KMT2AMEN1RAB9ASMN1; SMN2NPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US claimed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 US claimed
US-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2004-07-15 US claimed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 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 (2 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-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, TPMT KMT2A 2216/4885MEN1 4797/4885RAB9A 2176/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 KMT2A 1703/4885MEN1 4762/4885RAB9A 2273/4885

“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.