SCHEMBL4358710

SCHEMBL4358710

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 6/20 0.44
TSHR P16473 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 4/20 0.44
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TP53 P04637 2/20 0.44
CYP1A2 P05177 2/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NAMPT P43490 1/20 0.43
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.42

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
SCHEMBL4361546 0.86 HPGD (0.49) RAB9ANPC1SMN1; SMN2L3MBTL1HPGD
SCHEMBL4540500 0.81 BCAT1 (0.49) RAB9ANPC1L3MBTL1
SCHEMBL4358713 0.80 KMT2A (0.61) RAB9ANPC1SMN1; SMN2L3MBTL1HPGD
SCHEMBL4360383 0.80 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL4543532 0.78 RAB9A (0.45) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL4366943 0.77 SPHK2 (0.40) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL4358729 0.77 ANO1 (0.44) SMN1; SMN2HPGDTSHR
SCHEMBL4360431 0.77 BCAT1 (0.46) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL4366956 0.77 SMN1; SMN2 (0.48) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL4365533 0.76 NPC1 (0.47) RAB9ANPC1SMN1; SMN2L3MBTL1HPGD

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 5 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-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 RAB9A 2176/4885NPC1 107/4885SMN1; SMN2 2545/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 RAB9A 2273/4885NPC1 151/4885SMN1; SMN2 2335/4885

“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.