SCHEMBL2911448

SCHEMBL2911448

CCCC(C)c1ccccc1NC(=S)NC(=O)c1cc2cnccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
HTT P42858 3/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.43
MIF P14174 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
MAPK1 P28482 1/20 0.42
BLM P54132 1/20 0.42
GAA P10253 1/20 0.41
AGTR1 P30556 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL2918332 0.93 ALDH1A1 (0.51) ALDH1A1HTTNPC1RAB9AMAPT
SCHEMBL2918380 0.85 ALDH1A1 (0.48) ALDH1A1HTTNPC1RAB9AMAPT
SCHEMBL5839890 0.84 ALDH1A1 (0.49) ALDH1A1HTTNPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL2910572 0.84 ALDH1A1 (0.48) ALDH1A1HTTNPC1RAB9AMAPT
SCHEMBL2942288 0.83 ALDH1A1 (0.45) ALDH1A1HTTNPC1RAB9AMAPT
SCHEMBL2910124 0.82 ALDH1A1 (0.47) ALDH1A1HTTNPC1RAB9AMAPT
SCHEMBL4366064 0.81 NPC1 (0.46) ALDH1A1HTTNPC1RAB9AMAPT
SCHEMBL2911452 0.81 ALDH1A1 (0.52) ALDH1A1HTTNPC1RAB9AMAPT
SCHEMBL2918385 0.79 ALDH1A1 (0.50) ALDH1A1HTTNPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL2910578 0.79 ALDH1A1 (0.49) ALDH1A1HTTNPC1RAB9AMAPT

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 ALDH1A1 171/4885HTT 1410/4885NPC1 491/4885

“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.