SCHEMBL2914653

SCHEMBL2914653

CCCCOc1ccc(NC(=S)NC(=O)c2cc3cnccc3o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
MAPT P10636 6/20 0.53
MAPK1 P28482 1/20 0.53
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 3/20 0.47
STAT3 P40763 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL13175990 0.98 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL2919440 0.97 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL2919415 0.97 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL13175915 0.91 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL2910462 0.89 MAPT (0.55) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL13175624 0.87 ALDH1A1 (0.54) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2917242 0.86 ALDH1A1 (0.53) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2914457 0.86 ALDH1A1 (0.53) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13956741 0.86 MAPT (0.72) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13175807 0.85 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1NPC1RAB9A

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 10 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
CN-1946720-A Azabenzofuran substituted thioureas, inhibitors of viral replication ACHILLION PHARMACEUTICALS INC (US) 2007-04-11 CN 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.