SCHEMBL2869502

SCHEMBL2869502

N#Cc1ncccc1C(=O)NC(=S)Nc1cccc(OCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.61
KMT2A Q03164 8/20 0.61
RAB9A P51151 3/20 0.61
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 3/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 2/20 0.48
PPIA P62937 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
NPC1 O15118 2/20 0.48
ALOX12 P18054 2/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
KDM4E B2RXH2 1/20 0.46
SGMS2 Q8NHU3 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
SCHEMBL2864142 0.88 KDR (0.48) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL2866072 0.85 KMT2A (0.61) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL4361591 0.85 MEN1 (0.61) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL2868355 0.83 MEN1 (0.58) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL2862851 0.81 MEN1 (0.56) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL2866075 0.81 MEN1 (0.56) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL13956774 0.81 MEN1 (0.66) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL2869300 0.81 MEN1 (0.55) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL2866249 0.81 KMT2A (0.58) MEN1KMT2ARAB9AALDH1A1POLB
SCHEMBL5838780 0.81 MEN1 (0.71) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2

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 MEN1 4268/4885KMT2A 1501/4885RAB9A 2277/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC MEN1 4268/4885KMT2A 1501/4885RAB9A 2277/4885

“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.