SCHEMBL4368904

SCHEMBL4368904

CCCCCOc1ccc(NC(=S)NC(=O)CN2CCCCC2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HPGD P15428 1/20 0.55
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RAD52 P43351 1/20 0.48
RECQL P46063 2/20 0.48
HRH3 Q9Y5N1 3/20 0.47
ACHE P22303 1/20 0.47
MAOB P27338 1/20 0.45
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL13956946 0.91 MEN1 (0.58) MEN1KMT2AHPGDCYP1A2CYP2D6
SCHEMBL14096196 0.87 HPGD (0.48) MEN1KMT2AHPGDALDH1A1GAA
SCHEMBL2870847 0.85 MAPT (0.52) MEN1KMT2AHPGDALDH1A1GAA
SCHEMBL4365640 0.84 ALDH1A1 (0.55) MEN1KMT2AHPGDTSHRALDH1A1
SCHEMBL2868174 0.80 ALDH1A1 (0.51) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL14096206 0.79 ALDH1A1 (0.57) MEN1KMT2AHPGDTSHRALDH1A1
SCHEMBL14096200 0.78 NPC1 (0.46) MEN1KMT2AHPGDTSHRALDH1A1
SCHEMBL2866632 0.78 ALDH1A1 (0.49) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL4369888 0.78 LMNA (0.62) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL4361907 0.78 ALDH1A1 (0.60) MEN1KMT2AHPGDALDH1A1GAA

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 9 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
CN-1738797-A Substituted aryl thioureas and related compounds, inhibitors of viral replication ACHILLION PHARMACEUTICALS INC (US) 2006-02-22 CN 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-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 (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 2216/4885HPGD 3824/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 MEN1 4762/4885KMT2A 1703/4885HPGD 3743/4885

“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.