SCHEMBL4366834

SCHEMBL4366834

N#Cc1ccc2oc(C(=O)NC(=O)NSc3cccc(Oc4ccccc4)c3)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.37
BCAT1 P54687 3/20 0.36
HRH3 Q9Y5N1 1/20 0.35
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
KLKB1 P03952 1/20 0.35
PRSS1 P07477 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
KCNH2 Q12809 1/20 0.34
RAB9A P51151 2/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL4360383 0.86 SMN1; SMN2 (0.47) SMN1; SMN2HPGDTSHRBCAT1RAB9A
SCHEMBL4369761 0.86 BCAT1 (0.46) DRD3DRD2DRD4SMN1; SMN2HPGD
SCHEMBL2862481 0.83 PTPN22 (0.39) SMN1; SMN2HPGDTSHRBCAT1RAB9A
SCHEMBL4366195 0.83 CYP24A1 (0.44) HPGDRAB9ALMNAMAPTNPC1
SCHEMBL4374029 0.83 RAB9A (0.47) SMN1; SMN2HPGDTSHRPLAURAB9A
SCHEMBL4366836 0.79 RAB9A (0.51) SMN1; SMN2HPGDF2PLGPLAU
SCHEMBL4538068 0.78 SMN1; SMN2 (0.49) SMN1; SMN2HPGDTSHRBCAT1RAB9A
SCHEMBL4363705 0.78 NPC1 (0.41) DRD3SMN1; SMN2HPGDTSHRBCAT1
SCHEMBL4365533 0.77 NPC1 (0.47) SMN1; SMN2HPGDTSHRRAB9AHSD17B10
SCHEMBL4366943 0.75 SPHK2 (0.40) SMN1; SMN2HPGDTSHRRAB9AMAPT

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-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
EP-1562895-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2005-08-17 EP claimed
US-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2004-07-15 US claimed
WO-2004046095-A1 SUBSTITUTED ARYL THIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2004-06-03 WO claimed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-7094807-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-22 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 DRD3 3441/4885DRD2 3290/4885DRD4 3746/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 DRD3 3725/4885DRD2 3543/4885DRD4 3919/4885

“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.