SCHEMBL2918841

SCHEMBL2918841

CCCCCOc1ccc(NC(=S)NC(=O)c2cc3c(OC)nccc3o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 6/20 0.45
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.44
LMNA P02545 4/20 0.44
STAT3 P40763 1/20 0.43
PTGES O14684 1/20 0.41
POLB P06746 1/20 0.41
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
ATM Q13315 1/20 0.40
TP53 P04637 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL14137239 0.91 MAPT (0.49) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2919596 0.90 MAPT (0.48) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2915461 0.90 SIRT2 (0.45) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13175613 0.89 MAPT (0.48) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2915403 0.88 PTGES (0.47) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13175801 0.87 S1PR4 (0.44) MAPTALDH1A1MEN1KMT2APDGFRA
SCHEMBL13956879 0.85 MAPT (0.48) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13175990 0.83 ALDH1A1 (0.52) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2919415 0.82 ALDH1A1 (0.51) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2919440 0.82 ALDH1A1 (0.51) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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 14 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
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 MAPT 4038/4885NPC1 886/4885RAB9A 3144/4885
US-20050228013-A1 Azabenzofuran substituted thioureas; inhibitors of viral replication NAT1, PIGS, ADORA1 MAPT 4359/4885NPC1 491/4885RAB9A 1975/4885

“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.