SCHEMBL3144671

SCHEMBL3144671

CCCCCc1ccc(NC(=S)NC(=O)c2ccc(OCCN3CCOCC3)nc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
LMNA P02545 2/20 0.47
ALOX12 P18054 1/20 0.47
SIRT2 Q8IXJ6 2/20 0.47
SIRT1 Q96EB6 2/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL3150524 0.92 MAPT (0.48) MAPTKMT2AMAPK1ALDH1A1TDP1
SCHEMBL3136511 0.91 THRB (0.52) MAPTKMT2AMAPK1ALDH1A1TDP1
SCHEMBL3141159 0.86 KDR (0.51) MAPTKMT2AMAPK1ALDH1A1LMNA
SCHEMBL3150326 0.84 HTR2A (0.49) MAPTKMT2AMAPK1ALDH1A1LMNA
SCHEMBL2867462 0.82 ALDH1A1 (0.47) MAPTKMT2AALDH1A1THRATHRB
SCHEMBL3146280 0.81 ALDH1A1 (0.53) MAPTKMT2AMAPK1ALDH1A1TDP1
SCHEMBL14096273 0.81 NPC1 (0.58) MAPTKMT2AMAPK1ALDH1A1SMN1; SMN2
SCHEMBL3145971 0.81 MAPT (0.52) MAPTKMT2AMAPK1ALDH1A1TDP1
SCHEMBL3145504 0.79 SIRT2 (0.51) MAPTKMT2AMAPK1ALDH1A1TDP1
SCHEMBL2856895 0.79 GRM4 (0.44) MAPTKMT2AMAPK1ALDH1A1SMN1; 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 15 patents. 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-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 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
EP-1747196-B1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-02-10 EP disclosed
US-20100029652-A1 Combination Therapy For Treating Hepatitis C Infections ACHILLION PHARMACEUTICALS, INC. (US) 2010-02-04 US disclosed
EP-2091524-A2 COMBINATION THERAPY FOR TREATING HEPATITIS C INFECTIONS Achillion Pharmaceuticals, Inc. (US) 2009-08-26 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
WO-2008076443-A2 COMBINATION THERAPY FOR TREATING HEPATITIS C INFECTIONS ACHILLION PHARMACEUTICALS, INC. (US) 2008-06-26 WO 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

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-20100029652-A1 Combination Therapy For Treating Hepatitis C Infections HAVCR2, SLC10A1, CYP7A1 MAPT 3772/4885KMT2A 4014/4885MAPK1 4242/4885
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication PIGS, NAT1, AADAC MAPT 3157/4885KMT2A 1501/4885MAPK1 3135/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC MAPT 3157/4885KMT2A 1501/4885MAPK1 3135/4885

“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.