SCHEMBL428489

SCHEMBL428489

CC(C)(C)NC(=O)Cn1c(-c2ccc(OCc3ccccc3)cc2)c(-c2ccccc2)c2sc(C(=O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.44
NPC1 O15118 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CSNK1E P49674 1/20 0.40
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 2/20 0.39
PTPN1 P18031 1/20 0.38
PTPRA P18433 1/20 0.38
NR1I2 O75469 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
SCHEMBL422436 0.89 ALDH1A1 (0.44) NPC1MAPTLMNACASP3SENP8
SCHEMBL428488 0.85 CSNK1E (0.40) NR4A2NPC1MAPTLMNACASP3
SCHEMBL424913 0.85 NR4A2 (0.46) NR4A2MCL1PTPN1PTPRAPTGER4
SCHEMBL428663 0.84 NR4A2 (0.51) NR4A2MCL1PTPN1PTPRAPTGER4
SCHEMBL424110 0.82 NR4A2 (0.47) NR4A2NPC1LMNASMN1; SMN2KDM4E
SCHEMBL425969 0.81 NR4A2 (0.52) NR4A2NPC1MEN1KMT2AMCL1
SCHEMBL426003 0.81 EGFR (0.46) NR4A2MCL1PTPN1PTPRA
SCHEMBL2996607 0.79 ALDH1A1 (0.43) NR4A2NPC1MAPTLMNASMN1; SMN2
SCHEMBL425956 0.79 TP53 (0.47) NPC1MAPTLMNAALDH1A1
Hydrochloric Acid SCHEMBL422459 0.79 MAPT (0.53) NPC1MAPTLMNASMN1; SMN2KDM4E

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 3955/4885NPC1 1268/4885MAPT 4033/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI NR4A2 3955/4885NPC1 1268/4885MAPT 4033/4885

“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.