SCHEMBL4358804

SCHEMBL4358804

O=C(COc1ccccc1)NC(=O)N(S)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 2/20 0.47
NR4A2 P43354 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMPD1 P17405 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
MAOB P27338 1/20 0.45
HTT P42858 1/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL4364701 0.89 KMT2A (0.51) GPR34NR4A2SMN1; SMN2KMT2AMEN1
SCHEMBL4366082 0.86 NPC1 (0.56) SMN1; SMN2KMT2AKDM4EMAPTHTT
SCHEMBL3982953 0.79 NPC1 (0.54) NR4A2HDAC3HDAC1HDAC2HDAC10
SCHEMBL4357787 0.79 CYSLTR1 (0.46) SMPD1MAPTGAA
SCHEMBL4364688 0.78 NPC1 (0.51) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL4365796 0.77 NPC1 (0.42) SMN1; SMN2KMT2AMEN1KDM4EHTT
SCHEMBL4370663 0.77 NPC1 (0.47) GPR34SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL4367675 0.76 PTPN1 (0.53) SMN1; SMN2KMT2AMEN1KDM4EMAPT
SCHEMBL2868249 0.75 ALDH1A1 (0.51) SMPD1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL4361792 0.75 ALOX5 (0.55) SMN1; SMN2KMT2AMEN1HTTHPGD

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 3 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 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 (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-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 GPR34 3970/4885NR4A2 3188/4885HDAC3 627/4885

“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.