SCHEMBL2919490

SCHEMBL2919490

O=C(NC(=S)Nc1cccc(-c2ccccc2)c1)c1cc2cnccc2o1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.66
NPC1 O15118 6/20 0.55
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
MAPT P10636 5/20 0.52
DUSP1 P28562 4/20 0.52
NPSR1 Q6W5P4 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
POLB P06746 1/20 0.47
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MIF P14174 1/20 0.47
TSHR P16473 2/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL2918585 0.92 ALDH1A1 (0.65) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2910455 0.88 ALDH1A1 (0.63) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2910241 0.87 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13956743 0.87 NPC1 (0.71) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13971437 0.87 ALDH1A1 (0.80) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2916209 0.86 ALDH1A1 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL2910327 0.86 ALDH1A1 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2944718 0.84 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2KMT2APOLBLMNA
SCHEMBL2916577 0.84 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2912174 0.83 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1

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 171/4885NPC1 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.