SCHEMBL2864417

SCHEMBL2864417

CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
TDP1 Q9NUW8 1/20 0.63
ALDH1A1 P00352 9/20 0.58
MAPT P10636 4/20 0.58
CYP1A2 P05177 1/20 0.58
GAA P10253 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.56
HPGD P15428 1/20 0.55
RECQL P46063 1/20 0.55
KDM4E B2RXH2 2/20 0.55
ALOX12 P18054 1/20 0.54
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
RNASEL Q05823 1/20 0.52
HTT P42858 1/20 0.52
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51

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
SCHEMBL14095965 0.88 ALDH1A1 (0.63) NPC1RAB9AALDH1A1MAPTCYP1A2
SCHEMBL4361413 0.86 ALDH1A1 (0.65) RAB9AALDH1A1MAPTCYP1A2GAA
SCHEMBL14095985 0.84 KMT2A (0.64) NPC1RAB9AALDH1A1MAPTCYP1A2
SCHEMBL13956723 0.84 ALDH1A1 (0.67) RAB9AALDH1A1MAPTCYP1A2GAA
SCHEMBL13956732 0.83 ALDH1A1 (0.57) RAB9ATDP1ALDH1A1MAPTCYP1A2
SCHEMBL14095980 0.83 ALDH1A1 (0.64) RAB9AALDH1A1MAPTCYP1A2GAA
SCHEMBL14096298 0.83 MAPT (0.54) RAB9AALDH1A1MAPTCYP1A2GAA
SCHEMBL4371859 0.83 MAPT (0.67) NPC1RAB9AALDH1A1MAPTCYP1A2
SCHEMBL14137019 0.82 CYP1A2 (0.65) NPC1RAB9AALDH1A1MAPTCYP1A2
SCHEMBL14095976 0.81 ALDH1A1 (0.61) ALDH1A1MAPTCYP1A2GAACYP2C9

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 18 patents. 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 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
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-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US disclosed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 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-7094807-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-22 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-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 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 (4 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 NPC1 179/4885RAB9A 2277/4885TDP1 2612/4885
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 NPC1 886/4885RAB9A 3144/4885TDP1 1768/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 NPC1 151/4885RAB9A 2273/4885TDP1 901/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC NPC1 179/4885RAB9A 2277/4885TDP1 2612/4885

“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.