SCHEMBL424230

SCHEMBL424230

COC(=O)c1cc2nc(-c3ccc(OC(C)=O)cc3)n(-c3ccccc3)c2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 4/20 0.44
LMNA P02545 1/20 0.44
SIRT2 Q8IXJ6 2/20 0.40
SIRT1 Q96EB6 2/20 0.40
NPSR1 Q6W5P4 3/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR2 Q92731 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OPRD1 P41143 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
SCHEMBL422989 0.87 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL424229 0.79 CYP11B2 (0.38) ALDH1A1HPGDHSD17B10LMNAMEN1
SCHEMBL5014020 0.79 KDM4E (0.48) ALDH1A1HPGDHSD17B10KDM4EPOLB
Hydrochloric Acid SCHEMBL429204 0.76 NR4A2 (0.50) MAPTRAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL422988 0.66 CYP11B2 (0.40) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL8506167 0.65 KDM4E (0.57) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL1331521 0.65 KDM4E (0.55) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL5783789 0.65 ALDH1A1 (0.51) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL6701015 0.65 SIRT2 (0.68) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL3810348 0.64 CLK1 (0.51) ALDH1A1HPGDMAPTMEN1KMT2A

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 3 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 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 ALDH1A1 596/4885HPGD 2210/4885HSD17B10 905/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI ALDH1A1 596/4885HPGD 2210/4885HSD17B10 905/4885

“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.