SCHEMBL4542563

SCHEMBL4542563

O=C(NC(=S)Nc1cccc(OC2Cc3ccccc3C2)c1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
MAPT P10636 5/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ALOX12 P18054 4/20 0.52
NPSR1 Q6W5P4 3/20 0.52
CCR6 P51684 2/20 0.52
GAA P10253 2/20 0.52
POLB P06746 1/20 0.52
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 1/20 0.46
PTGS1 P23219 1/20 0.46
EPHX1 P07099 1/20 0.45
MIF P14174 1/20 0.45
EPHX2 P34913 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
SCHEMBL4375215 0.90 NPC1 (0.53) ALDH1A1MAPTMEN1KMT2AALOX12
SCHEMBL13956791 0.82 EPHX1 (0.62) ALDH1A1MAPTMEN1KMT2AALOX12
SCHEMBL2862874 0.81 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL4373622 0.78 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AALOX12
SCHEMBL13956782 0.78 MEN1 (0.69) ALDH1A1MAPTMEN1KMT2AALOX12
SCHEMBL14096213 0.77 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AALOX12
SCHEMBL4539373 0.77 ALDH1A1 (0.64) ALDH1A1MAPTMEN1KMT2AALOX12
SCHEMBL4366238 0.77 ALDH1A1 (0.64) ALDH1A1MAPTMEN1KMT2AALOX12
SCHEMBL4375305 0.77 NPC1 (0.59) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL14096294 0.77 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AALOX12

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-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-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 ALDH1A1 310/4885MAPT 3454/4885MEN1 4797/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 ALDH1A1 221/4885MAPT 3752/4885MEN1 4762/4885

“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.