SCHEMBL425462

SCHEMBL425462

CN(C)C(=O)Cn1c(-c2ccc(OCc3ccccc3N3CCOCC3)cc2)c(-c2ccccc2)c2sc(C(=O)O)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
DGAT1 O75907 2/20 0.37
GAA P10253 3/20 0.35
PPARD Q03181 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
PRKDC P78527 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGER4 P35408 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.33
SOAT1 P35610 1/20 0.33

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
SCHEMBL425461 0.89 CYP2D6 (0.34) HSD17B10DGAT1GAANPC1ALDH1A1
Hydrochloric Acid SCHEMBL424874 0.86 HSD17B10 (0.41) HSD17B10DGAT1GAAPPARDHTR1A
SCHEMBL424913 0.84 NR4A2 (0.46) PTGER4
Hydrochloric Acid SCHEMBL423828 0.80 EGFR (0.36) HSD17B10DGAT1GAANPC1ALDH1A1
SCHEMBL422946 0.80 SMN1; SMN2 (0.41)
SCHEMBL423331 0.80 TSPO (0.43) HSD17B10ALDH1A1MAPTMEN1KMT2A
SCHEMBL2997718 0.80 GRIN2B (0.40) NPC1ALDH1A1KDM4E
SCHEMBL2988870 0.80 KDM4E (0.40) ALDH1A1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL423485 0.80 KDM4E (0.35) HSD17B10DGAT1PPARDALDH1A1MAPT
SCHEMBL2996607 0.79 ALDH1A1 (0.43) HSD17B10DGAT1NPC1ALDH1A1RAB9A

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 HSD17B10 905/4885DGAT1 2182/4885GAA 451/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI HSD17B10 905/4885DGAT1 2182/4885GAA 451/4885

“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.