SCHEMBL4361375

SCHEMBL4361375

CCCC(=O)NC(=S)Nc1ccc(C2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.60
▸ HTT P42858 2/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ LMNA P02545 1/20 0.52
▸ RORC P51449 1/20 0.50
▸ MITF O75030 1/20 0.50
▸ KLF5 Q13887 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ALDH1A1 P00352 7/20 0.49
▸ GAA P10253 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ USP2 O75604 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
SCHEMBL13956735 0.86 POLB (0.51) HPGDHTTNPC1RAB9ALMNA
SCHEMBL14095958 0.84 HPGD (0.51) HPGDNPC1RAB9ALMNARORC
SCHEMBL14095951 0.79 RAB9A (0.72) NPC1RAB9AALDH1A1GAAKMT2A
SCHEMBL4367820 0.77 ALDH1A1 (0.61) HPGDHTTNPC1RAB9ALMNA
SCHEMBL517540 0.75 MITF (0.63) HPGDHTTNPC1RAB9ARORC
SCHEMBL26154059 0.74 CYP1A2 (0.59) HTTLMNARORCSMN1; SMN2ALDH1A1
SCHEMBL19910622 0.74 TP53 (0.57) HPGDHTTNPC1RAB9ARORC
SCHEMBL4542420 0.73 KMT2A (0.48) HPGDHTTNPC1RAB9ALMNA
SCHEMBL4542424 0.73 KMT2A (0.48) HPGDHTTNPC1RAB9ALMNA
SCHEMBL23453341 0.73 KMT2A (0.54) HPGDNPC1RAB9ALMNARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1562895-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2005-08-17 — — EP claimed
US-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2004-07-15 — — US claimed
WO-2004046095-A1 SUBSTITUTED ARYL THIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2004-06-03 — — WO claimed
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-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 HPGD 3824/4885HTT 927/4885NPC1 107/4885
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 HPGD 919/4885HTT 3396/4885NPC1 886/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 HPGD 3743/4885HTT 811/4885NPC1 151/4885

“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.

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