SCHEMBL4375305

SCHEMBL4375305

O=C(NC(=S)Nc1cccc(OC2Cc3ccccc3C2)c1)c1cc2ccccc2o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.59
RAB9A P51151 7/20 0.59
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
MAPT P10636 4/20 0.56
ALDH1A1 P00352 4/20 0.56
POLB P06746 1/20 0.51
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 4/20 0.47
PKM P14618 3/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
NLRP3 Q96P20 1/20 0.47
LMNA P02545 1/20 0.47
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MIF P14174 1/20 0.46

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
SCHEMBL2910887 0.90 ALDH1A1 (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4360387 0.83 NPC1 (0.67) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL14096081 0.81 NPC1 (0.67) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL14096098 0.80 NPC1 (0.66) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4375300 0.80 NPC1 (0.41) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4361550 0.79 MEN1 (0.65) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4543534 0.79 NPC1 (0.59) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13956930 0.78 NPC1 (0.61) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4373622 0.78 ALDH1A1 (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL14096093 0.78 ALDH1A1 (0.63) NPC1RAB9AMEN1KMT2ASMN1; 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 12 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-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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 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 (3 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 NPC1 107/4885RAB9A 2176/4885MEN1 4797/4885
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 NPC1 886/4885RAB9A 3144/4885MEN1 4577/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 NPC1 151/4885RAB9A 2273/4885MEN1 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.