SCHEMBL3144767

SCHEMBL3144767

O=C(NC(=S)Nc1cccc(Oc2ccccc2)c1)c1ccc(CCN2CCCC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.51
HPGD P15428 1/20 0.50
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MCHR1 Q99705 4/20 0.45
EPHX1 P07099 1/20 0.45
MAPT P10636 4/20 0.45
RAB9A P51151 3/20 0.45
ALOX12 P18054 2/20 0.45
NPC1 O15118 2/20 0.45
MCHR2 Q969V1 1/20 0.42
CACNA1B Q00975 1/20 0.42
POLB P06746 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
SCHEMBL3150822 0.83 HIF1A (0.50) EPHX2HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL3150619 0.81 ALDH1A1 (0.51) HPGDALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL2865292 0.81 HPGD (0.50) HPGDALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL3144870 0.80 EPHX2 (0.50) EPHX2ALDH1A1SMN1; SMN2LMNAMCHR1
SCHEMBL3136622 0.79 ALDH1A1 (0.51) HPGDALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL3136727 0.79 EPHX1 (0.56) HPGDALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL13478852 0.78 EPHX1 (0.55) HPGDALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL3151365 0.78 EPHX1 (0.52) HPGDALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL14096286 0.78 DGAT1 (0.59) ALDH1A1SMN1; SMN2LMNAKMT2AHTT
SCHEMBL4365297 0.77 HPGD (0.65) HPGDALDH1A1SMN1; SMN2LMNAMEN1

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
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 EPHX2 2235/4885HPGD 1953/4885ALDH1A1 176/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC EPHX2 2235/4885HPGD 1953/4885ALDH1A1 176/4885

“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.