SCHEMBL4366231

SCHEMBL4366231

CCCCOC(=O)c1ccc(NC(=S)NC(=O)COc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
MAPT P10636 7/20 0.60
SMN1; SMN2 Q16637 4/20 0.59
HPGD P15428 2/20 0.59
HTT P42858 1/20 0.59
CYP1A2 P05177 2/20 0.57
CYP2C19 P33261 2/20 0.57
GAA P10253 1/20 0.57
CYP2C9 P11712 1/20 0.57
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
RNASEL Q05823 2/20 0.52
RECQL P46063 1/20 0.51
LMNA P02545 2/20 0.51
CYP3A4 P08684 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL14096046 0.89 ALDH1A1 (0.66) ALDH1A1MAPTSMN1; SMN2HPGDHTT
SCHEMBL4542587 0.89 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2HPGDHTT
SCHEMBL4361413 0.86 ALDH1A1 (0.65) ALDH1A1MAPTSMN1; SMN2HPGDHTT
SCHEMBL4363323 0.86 MAPT (0.57) ALDH1A1MAPTSMN1; SMN2HPGDHTT
SCHEMBL4375509 0.86 MAPT (0.67) ALDH1A1MAPTSMN1; SMN2HPGDHTT
SCHEMBL4362279 0.86 MAPT (0.70) ALDH1A1MAPTSMN1; SMN2HPGDHTT
SCHEMBL4372355 0.86 MAPT (0.80) ALDH1A1MAPTSMN1; SMN2HPGDHTT
SCHEMBL4362068 0.85 MAPT (0.64) ALDH1A1MAPTSMN1; SMN2HPGDHTT
SCHEMBL4375207 0.85 MAPT (0.58) ALDH1A1MAPTSMN1; SMN2HPGDHTT
SCHEMBL4362148 0.85 MAPT (0.66) ALDH1A1MAPTSMN1; SMN2HPGDHTT

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 10 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-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 310/4885MAPT 3454/4885SMN1; SMN2 2545/4885
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 ALDH1A1 2930/4885MAPT 4038/4885SMN1; SMN2 4344/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 ALDH1A1 221/4885MAPT 3752/4885SMN1; SMN2 2335/4885

“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.