SCHEMBL2872153

SCHEMBL2872153

CCCCCc1ccc(NC(=S)NC(=O)c2ccc3nccnc3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.57
SIRT1 Q96EB6 6/20 0.57
RAB9A P51151 5/20 0.52
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
GAA P10253 2/20 0.52
NPC1 O15118 4/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
TRPV1 Q8NER1 5/20 0.46

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
SCHEMBL2867932 0.88 ALDH1A1 (0.60) SIRT2SIRT1RAB9AMAPTSMN1; SMN2
SCHEMBL4358758 0.87 SIRT2 (0.57) SIRT2SIRT1RAB9AMAPTSMN1; SMN2
SCHEMBL2869455 0.86 SMN1; SMN2 (0.62) RAB9AMAPTSMN1; SMN2GAANPC1
SCHEMBL3145892 0.81 SIRT2 (0.59) SIRT2SIRT1RAB9ASMN1; SMN2NPC1
SCHEMBL2864495 0.79 SIRT2 (0.60) SIRT2SIRT1RAB9AMAPTSMN1; SMN2
SCHEMBL16229389 0.79 SIRT2 (0.86) SIRT2SIRT1MAPTGAAALDH1A1
Hydrochloric Acid SCHEMBL3718449 0.79 SIRT2 (0.67) SIRT2SIRT1MAPTALDH1A1TDP1
Hydrochloric Acid SCHEMBL3718452 0.79 SIRT2 (0.67) SIRT2SIRT1MAPTALDH1A1TDP1
SCHEMBL2858294 0.78 TRPV1 (0.64) SIRT2SIRT1RAB9ASMN1; SMN2NPC1
SCHEMBL4364649 0.78 RAB9A (0.73) SIRT2SIRT1RAB9AMAPTSMN1; SMN2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747196-B1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-02-10 EP claimed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US claimed
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-7767706-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-7767706-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
EP-1747196-B1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-02-10 EP disclosed
EP-1747196-B1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-02-10 EP disclosed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US disclosed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 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-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 US disclosed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 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 (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-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication PIGS, NAT1, AADAC SIRT2 755/4885SIRT1 454/4885RAB9A 2277/4885
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 SIRT2 4612/4885SIRT1 4376/4885RAB9A 3144/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC SIRT2 755/4885SIRT1 454/4885RAB9A 2277/4885

“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.