SCHEMBL4375300

SCHEMBL4375300

O=C(NSC(=O)c1cc2ccccc2o1)Nc1cccc(OC2Cc3ccccc3C2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.41
RAB9A P51151 14/20 0.41
TP53 P04637 8/20 0.41
KMT2A Q03164 8/20 0.41
SMN1; SMN2 Q16637 8/20 0.41
MEN1 O00255 7/20 0.41
MAPT P10636 5/20 0.41
TSHR P16473 4/20 0.41
PKM P14618 3/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 2/20 0.41
NLRP3 Q96P20 1/20 0.41
NFKB1 P19838 3/20 0.41
NFKB2 Q00653 3/20 0.41
RELA Q04206 3/20 0.41
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALPG P10696 1/20 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
SCHEMBL4375305 0.80 NPC1 (0.59) NPC1RAB9ATP53KMT2ASMN1; SMN2
SCHEMBL4373587 0.78 NPC1 (0.47) NPC1RAB9ATP53KMT2ASMN1; SMN2
SCHEMBL4366041 0.78 NPC1 (0.47) NPC1RAB9ATP53KMT2ASMN1; SMN2
SCHEMBL4365501 0.78 SMN1; SMN2 (0.47) NPC1RAB9ATP53KMT2ASMN1; SMN2
SCHEMBL2869820 0.75 NPC1 (0.44) NPC1RAB9ATP53KMT2ASMN1; SMN2
SCHEMBL2910887 0.71 ALDH1A1 (0.56) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL4367642 0.70 RAB9A (0.48) NPC1RAB9ATP53KMT2ASMN1; SMN2
SCHEMBL3428225 0.69 KMT2A (0.46) NPC1TP53KMT2ASMN1; SMN2TSHR
SCHEMBL14096067 0.65 GAA (0.45) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4373622 0.62 ALDH1A1 (0.47) NPC1RAB9AKMT2ASMN1; SMN2MEN1

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 NPC1 107/4885RAB9A 2176/4885TP53 1296/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 NPC1 151/4885RAB9A 2273/4885TP53 1070/4885

“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.