SCHEMBL3150822

SCHEMBL3150822

O=C(NC(=S)Nc1cccc(Oc2ccccc2)c1)c1ccc(CN2CCOCC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.50
EPAS1 Q99814 1/20 0.50
MAPT P10636 4/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 3/20 0.49
LMNA P02545 3/20 0.49
TP53 P04637 1/20 0.49
ALDH1A1 P00352 7/20 0.47
MAPK1 P28482 3/20 0.47
EPHX2 P34913 1/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EPHX1 P07099 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HPGD P15428 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
SCHEMBL14096286 0.86 DGAT1 (0.59) MAPTKMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL3144870 0.86 EPHX2 (0.50) NPC1SMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL3146452 0.83 SMN1; SMN2 (0.49) MAPTKMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL3144767 0.83 EPHX2 (0.51) MAPTKMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL2865429 0.81 ALDH1A1 (0.47) MAPTKMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL3150619 0.80 ALDH1A1 (0.51) MAPTKMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL3151114 0.80 MAPT (0.50) HIF1AEPAS1MAPTKMT2ANPC1
SCHEMBL4362304 0.79 ALDH1A1 (0.64) MAPTSMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL3136727 0.78 EPHX1 (0.56) MAPTKMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL3146118 0.78 MAPT (0.58) HIF1AEPAS1MAPTKMT2ANPC1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747196-B1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-02-10 EP claimed
US-7767706-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-7767706-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
EP-1747196-B1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-02-10 EP disclosed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US disclosed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US disclosed
US-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 US disclosed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 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 (2 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-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication PIGS, NAT1, AADAC HIF1A 1289/4885EPAS1 1523/4885MAPT 3157/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC HIF1A 1289/4885EPAS1 1523/4885MAPT 3157/4885

“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.