SCHEMBL424110

SCHEMBL424110

COCCn1c(-c2ccc(OCc3ccccc3)cc2)c(-c2ccccc2)c2sc(C(=O)O)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.47
MCL1 Q07820 2/20 0.42
SRD5A2 P31213 1/20 0.40
NPC1 O15118 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A3 Q92570 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPRA P18433 1/20 0.39
PTGER4 P35408 2/20 0.39
SMPD1 P17405 1/20 0.38
MDM2 Q00987 1/20 0.38
RAB9A P51151 2/20 0.38
SCD O00767 1/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL426003 0.88 EGFR (0.46) NR4A2MCL1SRD5A2NR4A1NR4A3
SCHEMBL428663 0.87 NR4A2 (0.51) NR4A2MCL1SRD5A2NR4A1NR4A3
SCHEMBL425969 0.86 NR4A2 (0.52) NR4A2MCL1SRD5A2NPC1MEN1
SCHEMBL424109 0.84 NR4A2 (0.41) NR4A2MCL1NPC1KMT2AKDM4E
SCHEMBL424913 0.84 NR4A2 (0.46) NR4A2MCL1NR4A1NR4A3PTPN1
SCHEMBL427109 0.84 EGFR (0.50) NR4A2NPC1KMT2AKDM4ELMNA
SCHEMBL428489 0.82 NR4A2 (0.44) NR4A2MCL1NPC1MEN1KMT2A
SCHEMBL424138 0.81 NR4A2 (0.51) NR4A2MCL1SRD5A2MEN1KMT2A
SCHEMBL423858 0.81 NR4A2 (0.44) NR4A2MCL1KMT2AKDM4ENR4A1
Hydrochloric Acid SCHEMBL426991 0.81 EGFR (0.44) NR4A2NPC1KDM4ERAB9AALDH1A1

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-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US claimed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US claimed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP claimed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP 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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI NR4A2 3955/4885MCL1 2560/4885SRD5A2 973/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI NR4A2 3955/4885MCL1 2560/4885SRD5A2 973/4885

“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.