SCHEMBL5515488

SCHEMBL5515488

COc1ccc(-c2ccc(Cl)cc2)c(C=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.51
ALDH1A1 P00352 1/20 0.49
TRIM24 O15164 1/20 0.47
TYR P14679 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
MDM2 Q00987 2/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 2/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
XDH P47989 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL7841224 0.92 ERN1 (0.44) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL7608939 0.90 ERN1 (0.58) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL18717026 0.84 ERN1 (0.51) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL1983140 0.84 HDAC3 (0.52) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL14642539 0.84 ERN1 (0.51) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL28517488 0.83 ERN1 (0.54) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL23191292 0.82 GSTP1 (0.62) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL19854388 0.81 ERN1 (0.58) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL8918235 0.81 ERN1 (0.49) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL28854793 0.81 XDH (0.62) ERN1ALDH1A1MAPTXDHSMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285551-B2 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-10-23 US disclosed
US-20070032497-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-7112600-B1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2006-09-26 US disclosed
US-6770666-B2 A THERAPEUTIC AGENT FOR TREATING HEPATITIS C, BASED ON POLYMERASE INHIBITORY ACTIVITY JAPAN TOBACCO INC. (JP) 2004-08-03 US disclosed
US-20040097438-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2004-05-20 US disclosed
US-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor JAPAN TOBACCO INC. (JP) 2004-04-29 US disclosed
EP-1400241-A1 FUSED CYCLIC COMPOUNDS AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-03-24 EP disclosed
US-20030050320-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2003-03-13 US disclosed
EP-1162196-A1 FUSED-RING COMPOUNDS AND USE THEREOF AS DRUGS JAPAN TOBACCO INC. (JP) 2001-12-12 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 (4 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-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor HAVCR2, ZC3HAV1, POLR1C ERN1 871/4885ALDH1A1 1133/4885TRIM24 2251/4885
US-20030050320-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C ERN1 1174/4885ALDH1A1 463/4885TRIM24 1942/4885
US-20070032497-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C ERN1 1788/4885ALDH1A1 679/4885TRIM24 2095/4885
US-20040097438-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, SLC10A1 ERN1 685/4885ALDH1A1 144/4885TRIM24 1841/4885

“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.