SCHEMBL2863502

SCHEMBL2863502

O=C(NC(=S)Nc1ccc(-c2ccccc2)cc1)c1ccnn1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.54
ALDH1A1 P00352 4/20 0.54
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PKM P14618 1/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MIF P14174 1/20 0.53
CDK2 P24941 7/20 0.48
THRB P10828 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
EPHX1 P07099 3/20 0.47
GPR55 Q9Y2T6 2/20 0.46
MAPT P10636 1/20 0.46
CDK1 P06493 1/20 0.45

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
SCHEMBL2868089 0.90 ALDH1A1 (0.50) ROCK1ALDH1A1RAB9ANPC1KMT2A
SCHEMBL2864038 0.87 ALDH1A1 (0.58) ROCK1ALDH1A1RAB9ANPC1KMT2A
SCHEMBL2869425 0.87 EPHX1 (0.60) ROCK1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2863088 0.82 NR3C1 (0.46) ROCK1ALDH1A1RAB9ANPC1KMT2A
SCHEMBL2862653 0.82 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL2860381 0.81 MEN1 (0.53) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL2869722 0.81 SIRT2 (0.47) ROCK1ALDH1A1KMT2AMEN1THRB
SCHEMBL2871449 0.81 SIRT2 (0.47) ROCK1ALDH1A1KMT2AMEN1THRB
SCHEMBL13956831 0.80 FAAH (0.48) ALDH1A1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL28770658 0.80 MAPT (0.43) ROCK1ALDH1A1RAB9ANPC1KMT2A

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
US-7767706-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-03 US claimed
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
CN-101087755-A Substituted arylacylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS INC (US) 2007-12-12 CN 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-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 (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 ROCK1 3502/4885ALDH1A1 176/4885RAB9A 2277/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC ROCK1 3502/4885ALDH1A1 176/4885RAB9A 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.