SCHEMBL4366208

SCHEMBL4366208

O=C(COc1ccccc1)NC(=S)Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
HPGD P15428 3/20 0.69
THRB P10828 1/20 0.69
MAPT P10636 9/20 0.67
NPSR1 Q6W5P4 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
LMNA P02545 3/20 0.61
HTT P42858 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
KDM4E B2RXH2 1/20 0.58
TSHR P16473 1/20 0.58
RXFP1 Q9HBX9 1/20 0.56
MAPK1 P28482 1/20 0.55
TP53 P04637 1/20 0.55
GAA P10253 1/20 0.55
ALOX12 P18054 1/20 0.55
POLB P06746 1/20 0.54
HAVCR2 Q8TDQ0 1/20 0.54

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
SCHEMBL4364686 0.88 ALDH1A1 (0.72) ALDH1A1HPGDTHRBMAPTNPSR1
SCHEMBL14096020 0.88 ALDH1A1 (0.75) ALDH1A1HPGDTHRBMAPTNPSR1
SCHEMBL4369792 0.87 ALDH1A1 (0.69) ALDH1A1HPGDTHRBMAPTNPSR1
SCHEMBL14096018 0.86 MAPK1 (0.76) ALDH1A1HPGDTHRBMAPTNPSR1
SCHEMBL4366077 0.86 NPC1 (0.76) ALDH1A1HPGDTHRBMAPTNPSR1
SCHEMBL14096019 0.86 ALDH1A1 (0.68) ALDH1A1HPGDTHRBMAPTNPSR1
SCHEMBL4371912 0.85 ALDH1A1 (0.67) ALDH1A1HPGDTHRBMAPTNPSR1
SCHEMBL13956753 0.85 MAPT (0.67) ALDH1A1HPGDTHRBMAPTNPSR1
SCHEMBL14096039 0.85 ALDH1A1 (0.67) ALDH1A1HPGDTHRBMAPTNPSR1
SCHEMBL14096041 0.85 MAPT (0.58) ALDH1A1HPGDTHRBMAPTNPSR1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 310/4885HPGD 3824/4885THRB 1002/4885
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 ALDH1A1 2930/4885HPGD 919/4885THRB 4599/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 ALDH1A1 221/4885HPGD 3743/4885THRB 858/4885

“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.