SCHEMBL2856925

SCHEMBL2856925

CCCCCOc1ccc(NC(=S)NC(=O)c2cccnc2)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
MAPK1 P28482 1/20 0.59
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL14096248 0.90 ALDH1A1 (0.60) ALDH1A1MAPK1KDM4EMAPTSMN1; SMN2
SCHEMBL14096250 0.89 ALDH1A1 (0.64) ALDH1A1MAPK1KDM4EMAPTSMN1; SMN2
SCHEMBL2866099 0.89 ALDH1A1 (0.59) ALDH1A1MAPK1KDM4EMAPTSMN1; SMN2
SCHEMBL14096256 0.87 ALDH1A1 (0.58) ALDH1A1MAPK1KDM4EMAPTSMN1; SMN2
SCHEMBL2363409 0.86 ALDH1A1 (0.57) ALDH1A1MAPK1KDM4EMAPTSMN1; SMN2
SCHEMBL29359093 0.86 ALDH1A1 (0.57) ALDH1A1MAPK1KDM4EMAPTSMN1; SMN2
SCHEMBL2868244 0.86 ALDH1A1 (0.59) ALDH1A1MAPK1KDM4E
SCHEMBL14096253 0.85 ALDH1A1 (0.58) ALDH1A1MAPK1KDM4EMAPT
SCHEMBL2869508 0.85 ALDH1A1 (0.56) ALDH1A1MAPK1KDM4EMAPTSMN1; SMN2
SCHEMBL2869672 0.85 ALDH1A1 (0.56) ALDH1A1MAPK1KDM4EMAPTSMN1; 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 25 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-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 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-20100029652-A1 Combination Therapy For Treating Hepatitis C Infections ACHILLION PHARMACEUTICALS, INC. (US) 2010-02-04 US disclosed
CN-101563076-A Combination therapy for treating hepatitis C infections ACHILLION PHARMACEUTICALS INC (US) 2009-10-21 CN disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 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
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 ALDH1A1 235/4885MAPK1 4242/4885KDM4E 4181/4885
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication PIGS, NAT1, AADAC ALDH1A1 176/4885MAPK1 3135/4885KDM4E 1736/4885
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 ALDH1A1 2930/4885MAPK1 4584/4885KDM4E 3665/4885

“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.