SCHEMBL2912429

SCHEMBL2912429

O=C(NC(=S)Nc1cccc(OCCc2ccccc2)c1)c1cc2cnccc2o1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 3/20 0.45
NR1H4 Q96RI1 1/20 0.44
SIRT2 Q8IXJ6 2/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
ALOX12 P18054 1/20 0.43
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL2916577 0.91 ALDH1A1 (0.58) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL4365503 0.89 NPC1 (0.63) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL2910241 0.87 ALDH1A1 (0.62) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
Hydrochloric Acid SCHEMBL2910327 0.86 ALDH1A1 (0.61) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL2916209 0.86 ALDH1A1 (0.55) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL2914136 0.84 ALDH1A1 (0.57) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL2910455 0.84 ALDH1A1 (0.63) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL14096098 0.82 NPC1 (0.66) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL2919490 0.82 ALDH1A1 (0.66) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL2915621 0.82 ALDH1A1 (0.52) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709047-B1 AZABENZOFURAN SUBSTITUTED THIOUREAS AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-09-01 EP claimed
US-7439374-B2 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-10-21 US claimed
JP-2007517887-A 2007-07-05 JP claimed
CN-1946720-A Azabenzofuran substituted thioureas, inhibitors of viral replication ACHILLION PHARMACEUTICALS INC (US) 2007-04-11 CN claimed
EP-1709047-A2 AZABENZOFURAN SUBSTITUTED THIOUREAS AS INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2006-10-11 EP claimed
US-20050228013-A1 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2005-10-13 US claimed
WO-2005067900-A2 AZABENZOFURAN SUBSTITUTED THIOUREAS AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-07-28 WO claimed
EP-1709047-B1 AZABENZOFURAN SUBSTITUTED THIOUREAS AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-09-01 EP disclosed
EP-1709047-B1 AZABENZOFURAN SUBSTITUTED THIOUREAS AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-09-01 EP disclosed
US-7439374-B2 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-10-21 US disclosed
US-7439374-B2 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-10-21 US disclosed
US-7439374-B2 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-10-21 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-20050228013-A1 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2005-10-13 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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 ALDH1A1 2930/4885RAB9A 3144/4885SMN1; SMN2 4344/4885
US-20050228013-A1 Azabenzofuran substituted thioureas; inhibitors of viral replication NAT1, PIGS, ADORA1 ALDH1A1 171/4885RAB9A 1975/4885SMN1; SMN2 2433/4885

“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.