SCHEMBL2943798

SCHEMBL2943798

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
MAPT P10636 6/20 0.50
MAPK1 P28482 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.43
TP53 P04637 1/20 0.43
ALOX12 P18054 1/20 0.43
FAAH O00519 3/20 0.43

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
SCHEMBL13175642 0.89 MAPT (0.52) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL13956739 0.85 MAPT (0.69) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL2862926 0.85 MAPT (0.68) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL13956741 0.83 MAPT (0.72) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL13175915 0.82 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL13175990 0.82 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL4364694 0.82 MAPT (0.49) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL2919415 0.81 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL2919440 0.81 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL2943801 0.80 MAPT (0.47) ALDH1A1MAPTKDM4EHPGDGAA

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
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-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 171/4885MAPT 4359/4885MAPK1 3423/4885

“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.