SCHEMBL2943801

SCHEMBL2943801

CCCCCOc1ccc(NC(=O)N(S)C(=O)c2cc3cccnc3o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 2/20 0.47
FAAH O00519 14/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL2943875 0.82 S1PR1 (0.44) MAPTFAAH
SCHEMBL2944777 0.82 S1PR1 (0.44) MAPTFAAH
SCHEMBL2942289 0.81 TP53 (0.36) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL2943798 0.80 ALDH1A1 (0.50) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL3257824 0.72 DGAT1 (0.45) MAPTGAAFAAHL3MBTL1
SCHEMBL3252126 0.69 OXTR (0.43) MAPTKDM4EALDH1A1HPGD
SCHEMBL13175642 0.69 MAPT (0.52) MAPTALDH1A1
SCHEMBL3258126 0.67 NAMPT (0.46) MAPTHPGDGAAFAAHL3MBTL1
SCHEMBL4407217 0.66 HSP90AA1 (0.65) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL10769451 0.66 PTGES (0.58) MAPTKDM4EALDH1A1GAAFAAH

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
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
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
US-7439374-B2 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-10-21 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 (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-20050228013-A1 Azabenzofuran substituted thioureas; inhibitors of viral replication NAT1, PIGS, ADORA1 MAPT 4359/4885KDM4E 626/4885ALDH1A1 171/4885

“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.