SCHEMBL2863571

SCHEMBL2863571

CCCCCOc1ccc(NC(=S)NC(=O)c2cccnc2CCN2CCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.45
THRA P10827 2/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.45
LTA4H P09960 1/20 0.44
DRD2 P14416 1/20 0.44
MET P08581 1/20 0.44
NAMPT P43490 1/20 0.43
HTR2A P28223 2/20 0.42
HTR1A P08908 1/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HRH3 Q9Y5N1 2/20 0.42
FAAH O00519 6/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL2868071 0.90 MEN1 (0.45) ALDH1A1DRD2HTR2AHTR1AMAPT
SCHEMBL2866927 0.85 HPGD (0.48) THRBTHRAALDH1A1MAPK1DRD2
SCHEMBL2868210 0.84 MAPT (0.51) ALDH1A1MAPK1MAPTLMNA
SCHEMBL2865021 0.83 MAPT (0.50) THRBTHRAALDH1A1MAPK1MAPT
SCHEMBL2859608 0.83 MAPT (0.50) THRBTHRAALDH1A1MAPK1MAPT
SCHEMBL27690730 0.82 ALDH1A1 (0.46) ALDH1A1MAPK1MAPTFAAH
SCHEMBL2861919 0.82 ALDH1A1 (0.48) ALDH1A1MAPK1MAPTFAAH
SCHEMBL2871425 0.81 SMN1; SMN2 (0.49) THRBTHRAALDH1A1MAPT
SCHEMBL2869541 0.81 ALDH1A1 (0.48) ALDH1A1MAPK1MAPTFAAH
SCHEMBL2872023 0.81 CHIA (0.54) ALDH1A1MAPK1DRD2NAMPTHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747196-A2 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2007-01-31 EP claimed
WO-2006083271-A2 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-10 WO claimed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 US claimed
US-7767706-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US disclosed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 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-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication PIGS, NAT1, AADAC THRB 2584/4885THRA 1936/4885ALDH1A1 176/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC THRB 2584/4885THRA 1936/4885ALDH1A1 176/4885

“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.