SCHEMBL4358698

SCHEMBL4358698

CN(C)CC(=O)NC(=S)Nc1cccc(OCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
RAB9A P51151 2/20 0.61
PDK1 Q15118 1/20 0.53
PDK2 Q15119 1/20 0.53
PDK3 Q15120 1/20 0.53
PDK4 Q16654 1/20 0.53
LTA4H P09960 1/20 0.52
ALDH1A1 P00352 7/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
POLB P06746 2/20 0.50
NR1H4 Q96RI1 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
RECQL P46063 1/20 0.50
CRHBP P24387 1/20 0.49

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
SCHEMBL4371842 0.90 MEN1 (0.58) MEN1KMT2ARAB9APDK1PDK2
SCHEMBL2866055 0.87 MEN1 (0.56) MEN1KMT2ARAB9APDK1PDK2
SCHEMBL5837823 0.86 MEN1 (0.65) MEN1KMT2ARAB9APDK1PDK2
SCHEMBL4360384 0.86 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL14096195 0.86 MEN1 (0.53) MEN1KMT2ARAB9APDK1PDK2
SCHEMBL4358802 0.85 ALDH1A1 (0.65) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL4364666 0.85 MEN1 (0.64) MEN1KMT2ARAB9APDK1PDK2
SCHEMBL4363172 0.84 MEN1 (0.61) MEN1KMT2ARAB9APDK1PDK2
SCHEMBL13956731 0.83 MEN1 (0.60) MEN1KMT2ARAB9APDK1PDK2
SCHEMBL4361379 0.83 MEN1 (0.59) MEN1KMT2ARAB9APDK1PDK2

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
CN-1738797-A Substituted aryl thioureas and related compounds, inhibitors of viral replication ACHILLION PHARMACEUTICALS INC (US) 2006-02-22 CN claimed
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-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
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.