SCHEMBL4366508

SCHEMBL4366508

Cc1cc(C(=O)NC(=S)Nc2cccc(OCc3ccccc3)c2)nn1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.60
RAB9A P51151 4/20 0.60
KDM4E B2RXH2 2/20 0.60
GAA P10253 2/20 0.60
MEN1 O00255 7/20 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
NPC1 O15118 3/20 0.48
ALOX12 P18054 2/20 0.48
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
SCHEMBL3145150 0.94 KMT2A (0.56) KMT2ARAB9AKDM4EGAAMEN1
SCHEMBL2862776 0.91 KMT2A (0.55) KMT2ARAB9AKDM4EGAAMEN1
SCHEMBL2865608 0.88 KMT2A (0.50) KMT2ARAB9AKDM4EGAAMEN1
SCHEMBL4362238 0.87 RAB9A (0.62) KMT2ARAB9AKDM4EGAAMEN1
SCHEMBL2862550 0.85 RAB9A (0.62) KMT2ARAB9AKDM4EGAAMEN1
SCHEMBL4367547 0.85 MEN1 (0.59) KMT2ARAB9AGAAMEN1ALDH1A1
SCHEMBL27690747 0.83 GAA (0.79) KMT2ARAB9AKDM4EGAAMEN1
SCHEMBL13956779 0.83 MEN1 (0.62) KMT2ARAB9AMEN1ALDH1A1SMN1; SMN2
SCHEMBL14096287 0.82 MEN1 (0.61) KMT2ARAB9AMEN1ALDH1A1SMN1; SMN2
SCHEMBL13956774 0.82 MEN1 (0.66) KMT2ARAB9AMEN1ALDH1A1SMN1; 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 9 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
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
US-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2004-07-15 US 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 KMT2A 2216/4885RAB9A 2176/4885KDM4E 1098/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 KMT2A 1703/4885RAB9A 2273/4885KDM4E 1559/4885

“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.