SCHEMBL4361502

SCHEMBL4361502

O=C(NC(=S)Nc1cccc(OCc2ccccc2)c1)c1cc2cc(-c3ccccn3)ccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 6/20 0.47
MAPT P10636 5/20 0.46
POLB P06746 2/20 0.46
SIRT2 Q8IXJ6 2/20 0.46
SIRT1 Q96EB6 2/20 0.46
SIRT3 Q9NTG7 2/20 0.46
NR1H4 Q96RI1 2/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MGAM O43451 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL4358731 0.90 MEN1 (0.57) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL4361550 0.85 MEN1 (0.65) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL4366945 0.84 MEN1 (0.57) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL4360435 0.84 KMT2A (0.57) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL14096101 0.84 MEN1 (0.57) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL4540503 0.84 KMT2A (0.56) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL2916577 0.84 ALDH1A1 (0.58) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL2916209 0.82 ALDH1A1 (0.55) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL13175884 0.82 MEN1 (0.58) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL4366281 0.81 KMT2A (0.54) MEN1KMT2ARAB9ASMN1; 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 12 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-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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 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 (3 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 MEN1 4797/4885KMT2A 2216/4885RAB9A 2176/4885
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 MEN1 4577/4885KMT2A 4579/4885RAB9A 3144/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 MEN1 4762/4885KMT2A 1703/4885RAB9A 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.