SCHEMBL4367642

SCHEMBL4367642

O=C(NSC(=O)c1cc2ccccc2o1)Nc1ccc2c(c1)OC(c1ccccc1)O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.48
NPC1 O15118 13/20 0.48
MEN1 O00255 10/20 0.48
KMT2A Q03164 10/20 0.48
SMN1; SMN2 Q16637 9/20 0.48
MAPT P10636 5/20 0.48
NFKB1 P19838 3/20 0.48
NFKB2 Q00653 3/20 0.48
RELA Q04206 3/20 0.48
TP53 P04637 7/20 0.43
PKM P14618 3/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.40
LMNA P02545 3/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.39

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
SCHEMBL4367647 0.79 MAPT (0.62) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11549818 0.73 POLB (0.43) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4373587 0.71 NPC1 (0.47) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4365501 0.71 SMN1; SMN2 (0.47) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4366041 0.71 NPC1 (0.47) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4375300 0.70 NPC1 (0.41) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11548842 0.67 APEX1 (0.46) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL2869820 0.66 NPC1 (0.44) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL18180599 0.66 NPC1 (1.00) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11554395 0.63 POLB (0.46) RAB9ANPC1MEN1KMT2ASMN1; 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 6 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
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 RAB9A 2176/4885NPC1 107/4885MEN1 4797/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 RAB9A 2273/4885NPC1 151/4885MEN1 4762/4885

“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.