SCHEMBL4370095

SCHEMBL4370095

CCCCCOc1ccc(NC(=S)NC(=O)c2cc(C)n(C)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
KDM4E B2RXH2 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 7/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK1 P28482 2/20 0.46
NPC1 O15118 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
PTGES O14684 1/20 0.46
NR3C1 P04150 1/20 0.46
SMPD1 P17405 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL2869604 0.99 KDM4E (0.51) GAAKDM4ERAB9AKMT2AALDH1A1
SCHEMBL2866883 0.99 KDM4E (0.51) GAAKDM4ERAB9AKMT2AALDH1A1
SCHEMBL13956863 0.98 RAB9A (0.54) GAAKDM4ERAB9AKMT2AALDH1A1
SCHEMBL2858390 0.87 GAA (0.47) GAAKDM4ERAB9AKMT2AALDH1A1
SCHEMBL2870207 0.85 S1PR4 (0.46) GAAKDM4ERAB9AKMT2AALDH1A1
SCHEMBL4370761 0.85 KMT2A (0.54) GAAKDM4ERAB9AKMT2AALDH1A1
SCHEMBL2863641 0.84 KMT2A (0.53) GAAKDM4ERAB9AKMT2AALDH1A1
SCHEMBL2866571 0.84 KMT2A (0.53) GAAKDM4ERAB9AKMT2AALDH1A1
SCHEMBL4371855 0.84 ALDH1A1 (0.50) GAAKDM4ERAB9AKMT2AALDH1A1
SCHEMBL2862787 0.83 S1PR1 (0.49) GAAKDM4ERAB9AKMT2AALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US claimed
CN-1738797-A Substituted aryl thioureas and related compounds, inhibitors of viral replication ACHILLION PHARMACEUTICALS INC (US) 2006-02-22 CN claimed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 US claimed
US-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2004-07-15 US claimed
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-7094807-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-22 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 (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-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, TPMT GAA 370/4885KDM4E 1098/4885RAB9A 2176/4885
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 GAA 30/4885KDM4E 3665/4885RAB9A 3144/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 GAA 407/4885KDM4E 1559/4885RAB9A 2273/4885

“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.