SCHEMBL4358713

SCHEMBL4358713

COc1ccccc1COc1cccc(NC(=S)NC(=O)c2cc3ccccc3o2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
RAB9A P51151 4/20 0.61
NPC1 O15118 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
KDM4E B2RXH2 1/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 6/20 0.56
MIF P14174 1/20 0.55
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP2C19 P33261 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
SCHEMBL13956758 0.88 MEN1 (0.62) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL4361550 0.87 MEN1 (0.65) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL14096098 0.84 NPC1 (0.66) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL2869821 0.84 NPC1 (0.64) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL14096095 0.83 MEN1 (0.60) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL13956767 0.83 MEN1 (0.57) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL4540503 0.82 KMT2A (0.56) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL14096097 0.81 NPC1 (0.66) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL14096085 0.81 NPC1 (0.66) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL4365503 0.81 NPC1 (0.63) KMT2AMEN1RAB9ANPC1SMN1; 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-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
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

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 2216/4885MEN1 4797/4885RAB9A 2176/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 KMT2A 1703/4885MEN1 4762/4885RAB9A 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.