SCHEMBL4374092

SCHEMBL4374092

CCCCCc1ccc(NC(=S)NC(=O)c2cccnc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
TRPV1 Q8NER1 5/20 0.61
TDP1 Q9NUW8 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
MEN1 O00255 1/20 0.58
CASP3 P42574 1/20 0.58
KMT2A Q03164 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
SIRT2 Q8IXJ6 2/20 0.57
SIRT1 Q96EB6 2/20 0.57
MAPK1 P28482 1/20 0.57

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
SCHEMBL2863763 0.99 ALDH1A1 (0.63) ALDH1A1TRPV1TDP1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4366249 0.99 ALDH1A1 (0.63) ALDH1A1TRPV1TDP1SMN1; SMN2LMNA
SCHEMBL8272789 0.99 ALDH1A1 (0.63) ALDH1A1TRPV1TDP1SMN1; SMN2LMNA
SCHEMBL2864818 0.99 ALDH1A1 (0.63) ALDH1A1TRPV1TDP1SMN1; SMN2LMNA
SCHEMBL5694502 0.88 TRPV1 (0.77) ALDH1A1TRPV1SMN1; SMN2MAPTNPC1
SCHEMBL2864495 0.87 SIRT2 (0.60) ALDH1A1TRPV1TDP1SMN1; SMN2LMNA
SCHEMBL4363371 0.85 ALDH1A1 (0.71) ALDH1A1TDP1SMN1; SMN2LMNAMAPT
SCHEMBL6055170 0.85 TRPV1 (0.77) ALDH1A1TRPV1SMN1; SMN2MAPTNPC1
SCHEMBL2860214 0.84 ALDH1A1 (0.74) ALDH1A1TDP1SMN1; SMN2LMNAMAPT
SCHEMBL2870089 0.84 ALDH1A1 (0.70) ALDH1A1TDP1SMN1; SMN2LMNAMAPT

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 12 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
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 310/4885TRPV1 3032/4885TDP1 504/4885
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 ALDH1A1 2930/4885TRPV1 3971/4885TDP1 1768/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 ALDH1A1 221/4885TRPV1 2319/4885TDP1 901/4885

“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.