SCHEMBL2915403

SCHEMBL2915403

CCCCCOc1ccc(NC(=S)NC(=O)c2cc3c(N(C)C)nccc3o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.47
MAPT P10636 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 7/20 0.43
MAPK1 P28482 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 3/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TP53 P04637 1/20 0.39
ALOX12 P18054 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL2915740 0.89 SIRT2 (0.49) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL14137239 0.89 MAPT (0.49) PTGESMAPTNPC1RAB9AALDH1A1
SCHEMBL2919596 0.88 MAPT (0.48) PTGESMAPTNPC1RAB9AALDH1A1
SCHEMBL2918841 0.88 MAPT (0.48) PTGESMAPTNPC1RAB9AALDH1A1
SCHEMBL13175613 0.88 MAPT (0.48) PTGESMAPTNPC1RAB9AALDH1A1
SCHEMBL2914827 0.88 S1PR4 (0.43) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13175990 0.81 ALDH1A1 (0.52) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL2919415 0.80 ALDH1A1 (0.51) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL14018593 0.80 ALDH1A1 (0.47) PTGESMAPTNPC1RAB9AALDH1A1
SCHEMBL13956879 0.80 MAPT (0.48) MAPTNPC1RAB9AALDH1A1MAPK1

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
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
US-20050228013-A1 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2005-10-13 US 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 PTGES 993/4885MAPT 4038/4885NPC1 886/4885
US-20050228013-A1 Azabenzofuran substituted thioureas; inhibitors of viral replication NAT1, PIGS, ADORA1 PTGES 2996/4885MAPT 4359/4885NPC1 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.