SCHEMBL4361608

SCHEMBL4361608

CCCCCc1cccc(NC(N)=S)c1C(=O)c1cc2ccccc2o1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.45
RAB9A P51151 10/20 0.44
NPC1 O15118 9/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 4/20 0.43
FLT3 P36888 1/20 0.43
TP53 P04637 3/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2942862 0.86 CYP1A2 (0.40) RAB9ANPC1MAPTALDH1A1MAPK1
SCHEMBL4364729 0.84 RAB9A (0.46) HDAC3RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4357780 0.83 MAOB (0.52) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4361601 0.79 RAB9A (0.43) HDAC3RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4364723 0.77 RAB9A (0.44) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4375271 0.77 FLT3 (0.52) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2918621 0.74 CYP1A2 (0.38) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL10487204 0.74 ALDH1A1 (0.47) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL2945223 0.72 PTPN1 (0.40) SMN1; SMN2MEN1KMT2AMAPTTP53
SCHEMBL4374067 0.71 NPC1 (0.52) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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 HDAC3 378/4885RAB9A 2176/4885NPC1 107/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 HDAC3 627/4885RAB9A 2273/4885NPC1 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.