SCHEMBL2869478

SCHEMBL2869478

CCCCCc1ccc(NC(=S)NC(=O)c2cccnc2N(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.53
SIRT1 Q96EB6 6/20 0.53
ALDH1A1 P00352 5/20 0.48
KDR P35968 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
TRPV1 Q8NER1 4/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 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
SCHEMBL2863378 0.87 PTGES (0.53) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL2859078 0.86 ALDH1A1 (0.51) SIRT2SIRT1ALDH1A1KDRSMN1; SMN2
SCHEMBL2873177 0.86 SIRT2 (0.56) SIRT2SIRT1ALDH1A1KDRSMN1; SMN2
SCHEMBL2869100 0.82 NPC1 (0.46) ALDH1A1SMN1; SMN2HTTMAPTKMT2A
SCHEMBL14096278 0.81 ALDH1A1 (0.53) SIRT2SIRT1ALDH1A1KDRHTT
SCHEMBL14096274 0.79 GAA (0.51) SIRT2SIRT1ALDH1A1KDRSMN1; SMN2
SCHEMBL2865647 0.79 CHIA (0.55) SIRT2SIRT1ALDH1A1HTTMAPT
SCHEMBL2915740 0.79 SIRT2 (0.49) SIRT2SIRT1ALDH1A1SMN1; SMN2HTT
SCHEMBL2868071 0.78 MEN1 (0.45) SIRT2SIRT1ALDH1A1KDRSMN1; SMN2
SCHEMBL2863707 0.78 KMT2A (0.56) ALDH1A1SMN1; SMN2HTTMAPTKMT2A

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 SIRT2 755/4885SIRT1 454/4885ALDH1A1 176/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC SIRT2 755/4885SIRT1 454/4885ALDH1A1 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.