SCHEMBL4367547

SCHEMBL4367547

Cc1cc(C(=O)NC(=S)Nc2cccc(OCc3ccccc3)c2)n(C)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.59
KMT2A Q03164 8/20 0.59
RAB9A P51151 3/20 0.59
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 4/20 0.49
POLB P06746 2/20 0.49
GAA P10253 1/20 0.49
NPC1 O15118 3/20 0.48
ALOX12 P18054 2/20 0.48
MAPK1 P28482 1/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL13956864 0.88 MEN1 (0.56) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL4360369 0.87 BRAF (0.55) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL4373624 0.85 MEN1 (0.62) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL4366508 0.85 KMT2A (0.60) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL14096231 0.81 MEN1 (0.59) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL14096287 0.80 MEN1 (0.61) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL4359882 0.80 MEN1 (0.54) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL14808236 0.80 MEN1 (0.72) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL4367771 0.80 ALDH1A1 (0.53) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL3145150 0.80 KMT2A (0.56) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US 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.