SCHEMBL423858

SCHEMBL423858

O=C(O)c1cc2c(s1)c(-c1ccccc1)c(-c1ccc(OCc3ccccc3)cc1)n2CC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.44
MCL1 Q07820 1/20 0.40
MAPK8 P45983 2/20 0.39
FDFT1 P37268 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPRA P18433 1/20 0.37
VDR P11473 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37
NR4A1 P22736 1/20 0.37
NR4A3 Q92570 1/20 0.37
MDM2 Q00987 1/20 0.37

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
SCHEMBL423857 0.90 NR4A2 (0.43) NR4A2MCL1FDFT1HRH3KDM4E
SCHEMBL428663 0.85 NR4A2 (0.51) NR4A2MCL1HRH3PTPN1PTPRA
Hydrochloric Acid SCHEMBL425113 0.83 HRH3 (0.42) NR4A2HRH3KDM4ESMN1; SMN2RAB9A
SCHEMBL5732725 0.83 ACHE (0.43) NR4A2HRH3KDM4EKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL425039 0.82 ACHE (0.43) NR4A2HRH3KDM4EKMT2ASMN1; SMN2
SCHEMBL424110 0.81 NR4A2 (0.47) NR4A2MCL1KDM4EKMT2ASMN1; SMN2
SCHEMBL428662 0.80 NR4A2 (0.44) NR4A2MCL1FDFT1HRH3KDM4E
SCHEMBL424913 0.80 NR4A2 (0.46) NR4A2MCL1PTPN1PTPRANR4A1
SCHEMBL426003 0.80 EGFR (0.46) NR4A2MCL1PTPN1PTPRALTA4H
SCHEMBL425969 0.80 NR4A2 (0.52) NR4A2MCL1KMT2APTPN1PTPRA

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 2560/4885MAPK8 1490/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI NR4A2 3955/4885MCL1 2560/4885MAPK8 1490/4885

“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.