SCHEMBL2910480

SCHEMBL2910480

O=C(NC(=S)Nc1ccc(Oc2ccccc2)cc1)c1cc2cnccc2o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
MAPT P10636 6/20 0.56
EPHX1 P07099 2/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
HTT P42858 3/20 0.50
LMNA P02545 3/20 0.50
ALOX12 P18054 2/20 0.50
NPC1 O15118 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 2/20 0.48
RAB9A P51151 3/20 0.47
TP53 P04637 1/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 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
SCHEMBL2910241 0.92 ALDH1A1 (0.62) ALDH1A1MAPTEPHX1MEN1KMT2A
Hydrochloric Acid SCHEMBL2910327 0.91 ALDH1A1 (0.61) ALDH1A1MAPTEPHX1MEN1KMT2A
SCHEMBL2918585 0.89 ALDH1A1 (0.65) ALDH1A1MAPTEPHX1MEN1KMT2A
SCHEMBL4538070 0.87 MAPT (0.73) ALDH1A1MAPTEPHX1MEN1KMT2A
SCHEMBL2912174 0.87 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL2910248 0.86 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL2910334 0.85 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL2914653 0.83 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL2916577 0.83 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL2919490 0.82 ALDH1A1 (0.66) ALDH1A1MAPTMEN1KMT2APOLB

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 13 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
JP-2007517887-A 2007-07-05 JP claimed
CN-1946720-A Azabenzofuran substituted thioureas, inhibitors of viral replication ACHILLION PHARMACEUTICALS INC (US) 2007-04-11 CN claimed
EP-1709047-A2 AZABENZOFURAN SUBSTITUTED THIOUREAS AS INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2006-10-11 EP claimed
US-20050228013-A1 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2005-10-13 US claimed
WO-2005067900-A2 AZABENZOFURAN SUBSTITUTED THIOUREAS AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-07-28 WO 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 4359/4885EPHX1 2177/4885

“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.