SCHEMBL4371848

SCHEMBL4371848

CC(=O)NC(=S)Nc1cccc(OCc2ccccc2)c1.CNc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
RAB9A P51151 4/20 0.62
LMNA P02545 1/20 0.57
PDK1 Q15118 1/20 0.54
PDK2 Q15119 1/20 0.54
PDK3 Q15120 1/20 0.54
PDK4 Q16654 1/20 0.54
EPHX1 P07099 2/20 0.53
MAOB P27338 1/20 0.53
NPC1 O15118 3/20 0.53
ALDH1A1 P00352 4/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
ALOX12 P18054 1/20 0.50
LTA4H P09960 1/20 0.50

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
SCHEMBL10599853 0.83 MEN1 (0.79) MEN1KMT2ARAB9ALMNAPDK1
SCHEMBL5837823 0.82 MEN1 (0.65) MEN1KMT2ARAB9ALMNAPDK1
SCHEMBL13956731 0.82 MEN1 (0.60) MEN1KMT2ARAB9ALMNAPDK1
SCHEMBL4358802 0.81 ALDH1A1 (0.65) MEN1KMT2ARAB9ALMNANPC1
SCHEMBL4364666 0.81 MEN1 (0.64) MEN1KMT2ARAB9ALMNAPDK1
SCHEMBL6222715 0.81 PDK1 (0.61) MEN1KMT2ARAB9ALMNAPDK1
SCHEMBL4358698 0.81 MEN1 (0.61) MEN1KMT2ARAB9ALMNAPDK1
SCHEMBL13956794 0.81 MEN1 (0.58) MEN1KMT2ARAB9ALMNAPDK1
SCHEMBL14808236 0.80 MEN1 (0.72) MEN1KMT2ARAB9ALMNANPC1
SCHEMBL4361379 0.79 MEN1 (0.59) MEN1KMT2ARAB9ALMNAPDK1

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-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 US claimed
EP-1562895-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2005-08-17 EP claimed
US-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2004-07-15 US claimed
WO-2004046095-A1 SUBSTITUTED ARYL THIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2004-06-03 WO claimed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-7094807-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-22 US disclosed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 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-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, TPMT MEN1 4797/4885KMT2A 2216/4885RAB9A 2176/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 MEN1 4762/4885KMT2A 1703/4885RAB9A 2273/4885

“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.