SCHEMBL2866006

SCHEMBL2866006

O=C(NC(=S)Nc1cccc(OCc2ccccc2)c1)c1cccnc1OCCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RXFP1 Q9HBX9 1/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
F10 P00742 1/20 0.46
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
GRM4 Q14833 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
MCHR1 Q99705 1/20 0.45

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
SCHEMBL2869847 0.91 EPHX2 (0.51) EPHX2RXFP1GRM4MCHR1
SCHEMBL3150764 0.83 MEN1 (0.54) EPHX2MEN1KMT2ARAB9ALMNA
SCHEMBL2869300 0.79 MEN1 (0.55) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL2866249 0.79 KMT2A (0.58) MEN1KMT2ARAB9AALDH1A1
SCHEMBL2869325 0.79 KMT2A (0.53) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL2866072 0.78 KMT2A (0.61) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL4361591 0.78 MEN1 (0.61) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL2871425 0.78 SMN1; SMN2 (0.49) EPHX2KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2865429 0.78 ALDH1A1 (0.47) EPHX2KMT2ARAB9ALMNAALDH1A1
SCHEMBL2867462 0.77 ALDH1A1 (0.47) MEN1KMT2ARAB9ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US claimed
EP-1747196-A2 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2007-01-31 EP claimed
WO-2006083271-A2 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-10 WO claimed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 US claimed
US-7767706-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 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 2235/4885MEN1 4268/4885KMT2A 1501/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC EPHX2 2235/4885MEN1 4268/4885KMT2A 1501/4885

“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.