SCHEMBL4357780

SCHEMBL4357780

NC(=S)Nc1cccc(Cc2ccccc2)c1C(=O)c1cc2ccccc2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
FLT3 P36888 1/20 0.47
NPC1 O15118 10/20 0.46
RAB9A P51151 9/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
TP53 P04637 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL4361608 0.83 HDAC3 (0.45) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL4375271 0.82 FLT3 (0.52) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL4357778 0.78 RAB9A (0.49) MAOBFLT3NPC1RAB9AMEN1
SCHEMBL4361601 0.76 RAB9A (0.43) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL4364729 0.76 RAB9A (0.46) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL4363877 0.74 RAB9A (0.44) MAOBFLT3NPC1RAB9AMEN1
SCHEMBL4374067 0.74 NPC1 (0.52) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL4364723 0.74 RAB9A (0.44) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL11161289 0.72 L3MBTL1 (0.57) MAOBMEN1KMT2ATSHRTP53
SCHEMBL4361783 0.72 KDM4E (0.42) MAOBNPC1RAB9AMEN1KMT2A

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 8 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-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 MAOB 1226/4885FLT3 2716/4885NPC1 107/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 MAOB 886/4885FLT3 2935/4885NPC1 151/4885

“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.