SCHEMBL2910248

SCHEMBL2910248

O=C(NC(=S)Nc1ccccc1Oc1ccccc1)c1cc2cnccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
MIF P14174 1/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 2/20 0.49
TSHR P16473 3/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 1/20 0.47
BLM P54132 1/20 0.47
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
KCNH2 Q12809 1/20 0.43
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42

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
Hydrochloric Acid SCHEMBL2910334 0.99 ALDH1A1 (0.53) ALDH1A1MIFNPC1RAB9ATSHR
SCHEMBL2916583 0.87 ALDH1A1 (0.52) ALDH1A1MIFNPC1RAB9AMEN1
SCHEMBL2910241 0.86 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ATSHRMEN1
SCHEMBL2910480 0.86 ALDH1A1 (0.61) ALDH1A1NPC1RAB9ATSHRMEN1
Hydrochloric Acid SCHEMBL2910327 0.85 ALDH1A1 (0.61) ALDH1A1NPC1RAB9ATSHRMEN1
SCHEMBL2918385 0.82 ALDH1A1 (0.50) ALDH1A1MIFNPC1RAB9ATSHR
Hydrochloric Acid SCHEMBL2910578 0.82 ALDH1A1 (0.49) ALDH1A1MIFNPC1RAB9ATSHR
SCHEMBL2918380 0.81 ALDH1A1 (0.48) ALDH1A1MIFNPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL2910572 0.80 ALDH1A1 (0.48) ALDH1A1MIFNPC1RAB9AMEN1
SCHEMBL2909612 0.80 ALDH1A1 (0.47) ALDH1A1MIFNPC1RAB9AMEN1

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 6 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
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 171/4885MIF 2562/4885NPC1 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.