SCHEMBL4358129

SCHEMBL4358129

O=C(NC(=S)Nc1cccc(OCc2ccccc2)c1)c1ccc2nonc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.68
KMT2A Q03164 7/20 0.68
RAB9A P51151 4/20 0.68
ALDH1A1 P00352 7/20 0.60
MAPT P10636 5/20 0.60
POLB P06746 3/20 0.60
TDP1 Q9NUW8 3/20 0.60
GAA P10253 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.57
NPC1 O15118 4/20 0.57
ALOX12 P18054 3/20 0.57
LMNA P02545 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
HTT P42858 1/20 0.54
NR1H4 Q96RI1 2/20 0.53
CCR6 P51684 1/20 0.52
HDAC6 Q9UBN7 2/20 0.52
ADORA3 P0DMS8 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51

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
SCHEMBL2868078 0.89 MEN1 (0.70) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL4361536 0.87 MAPT (0.66) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL2869268 0.85 RAB9A (0.66) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL5993699 0.84 ADORA3 (0.53) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL4360455 0.83 KMT2A (0.72) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL14096257 0.83 MEN1 (0.72) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL14808236 0.83 MEN1 (0.72) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL14096254 0.81 MEN1 (0.67) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL14137021 0.81 MEN1 (0.67) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL13956782 0.81 MEN1 (0.69) MEN1KMT2ARAB9AALDH1A1MAPT

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-7094807-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-22 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 MEN1 4797/4885KMT2A 2216/4885RAB9A 2176/4885
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.