SCHEMBL3428262

SCHEMBL3428262

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.72
RECQL P46063 1/20 0.72
SMN1; SMN2 Q16637 5/20 0.62
RAB9A P51151 4/20 0.62
NPC1 O15118 2/20 0.62
CASP1 P29466 1/20 0.62
MAPT P10636 4/20 0.62
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
HTT P42858 2/20 0.62
GAA P10253 2/20 0.62
CYP1A2 P05177 3/20 0.61
CYP2C19 P33261 3/20 0.61
LMNA P02545 2/20 0.61
TSHR P16473 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP3A4 P08684 1/20 0.61
PDE4D Q08499 1/20 0.61
RNASEL Q05823 3/20 0.59
MAPK1 P28482 2/20 0.59

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
SCHEMBL10978405 0.87 HPGD (0.74) HPGDRECQLSMN1; SMN2RAB9ANPC1
SCHEMBL8162691 0.86 HPGD (0.72) HPGDRECQLSMN1; SMN2RAB9ANPC1
SCHEMBL1615839 0.85 SMN1; SMN2 (0.73) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL4361509 0.85 HPGD (0.75) HPGDRECQLSMN1; SMN2RAB9ANPC1
SCHEMBL14095962 0.84 RNASEL (0.67) HPGDRECQLSMN1; SMN2RAB9ANPC1
SCHEMBL10943133 0.84 RAB9A (0.86) HPGDRECQLSMN1; SMN2RAB9ANPC1
SCHEMBL10943491 0.84 HPGD (0.78) HPGDRECQLSMN1; SMN2RAB9ANPC1
SCHEMBL14095954 0.83 HPGD (0.66) HPGDRECQLSMN1; SMN2RAB9ANPC1
SCHEMBL14137019 0.82 CYP1A2 (0.65) HPGDRECQLSMN1; SMN2RAB9ANPC1
SCHEMBL14095955 0.82 HPGD (0.62) HPGDRECQLSMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1849301-A Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS INC (US) 2006-10-18 CN claimed
EP-1648862-A2 SUBSTITUTED ARYLTHIOUREA DERIVATIVES USEFUL AS INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2006-04-26 EP claimed
US-20050032849-A1 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2005-02-10 US claimed
WO-2005007601-A2 SUBSTITUTED ARYLTHIOUREA DERIVATIVES USEFUL AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-01-27 WO claimed
US-7718671-B2 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-7718671-B2 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-7718671-B2 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
CN-1849301-A Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS INC (US) 2006-10-18 CN disclosed
EP-1648862-A2 SUBSTITUTED ARYLTHIOUREA DERIVATIVES USEFUL AS INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2006-04-26 EP disclosed
US-20050032849-A1 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2005-02-10 US disclosed
WO-2005007601-A2 SUBSTITUTED ARYLTHIOUREA DERIVATIVES USEFUL AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-01-27 WO 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 (1 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-20050032849-A1 Substituted arylthiourea derivatives useful as inhibitors of viral replication TPMT, NAT1, GOT1 HPGD 2021/4885RECQL 735/4885SMN1; SMN2 3102/4885

“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.