SCHEMBL4540500

SCHEMBL4540500

COc1ccc2oc(C(=O)NC(=O)NSc3cccc(OCc4ccccc4)c3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 1/20 0.49
TAS1R3 Q7RTX0 11/20 0.46
TAS1R1 Q7RTX1 11/20 0.46
MAOB P27338 3/20 0.44
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOA P21397 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4361546 0.89 HPGD (0.49) MAOBL3MBTL1NPC1RAB9A
SCHEMBL4365917 0.89 PIM1 (0.48) MAOBCASP3SENP8SENP7SENP6
SCHEMBL4358729 0.88 ANO1 (0.44) MAOB
SCHEMBL4366943 0.88 SPHK2 (0.40) MAOBCASP3SENP8SENP7SENP6
SCHEMBL4360431 0.88 BCAT1 (0.46) BCAT1MAOBNPC1RAB9A
SCHEMBL4366278 0.85 CTSV (0.45) MAOBMAOANPC1RAB9A
SCHEMBL4361498 0.84 FFAR1 (0.41) MAOBL3MBTL1
SCHEMBL4358710 0.81 RAB9A (0.47) L3MBTL1NPC1RAB9A
SCHEMBL4363200 0.80 SPHK2 (0.41) MAOBCASP3SENP7NPC1RAB9A
SCHEMBL4540503 0.79 KMT2A (0.56) BCAT1TAS1R3TAS1R1MAOBMAOA

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 5 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-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 BCAT1 268/4885TAS1R3 554/4885TAS1R1 167/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 BCAT1 264/4885TAS1R3 550/4885TAS1R1 240/4885

“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.