SCHEMBL4791027

SCHEMBL4791027

CCOC(=O)c1c(-c2ccc(F)cc2)oc2cc([N+](=O)[O-])c(C(C)O)cc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 5/20 0.47
ALOX5 P09917 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
PRNP P04156 1/20 0.46
GAA P10253 2/20 0.46
PTGS2 P35354 3/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HTT P42858 1/20 0.43
RCE1 Q9Y256 1/20 0.43
TP53 P04637 1/20 0.42
RAD52 P43351 1/20 0.42

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
SCHEMBL4791020 0.93 MEN1 (0.47) KDM4EALDH1A1HPGDALOX5L3MBTL1
SCHEMBL12940131 0.89 KDM4E (0.51) KDM4EALDH1A1HPGDALOX5L3MBTL1
SCHEMBL6119870 0.88 ALOX5 (0.50) KDM4EALDH1A1HPGDALOX5L3MBTL1
SCHEMBL1918070 0.87 MEN1 (0.56) KDM4EALDH1A1HPGDALOX5L3MBTL1
SCHEMBL3535937 0.87 KDM4E (0.48) KDM4EALDH1A1HPGDALOX5L3MBTL1
SCHEMBL2402438 0.86 MEN1 (0.55) KDM4EALDH1A1HPGDALOX5L3MBTL1
SCHEMBL12940365 0.86 ALOX5 (0.46) KDM4EALDH1A1HPGDALOX5L3MBTL1
SCHEMBL4790709 0.85 ALOX5 (0.48) KDM4EALDH1A1HPGDALOX5L3MBTL1
SCHEMBL3537312 0.85 MEN1 (0.52) KDM4EALDH1A1HPGDALOX5L3MBTL1
SCHEMBL12940201 0.85 PTGS2 (0.56) KDM4EALDH1A1HPGDALOX5L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632261-B1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS INC (US) 2016-07-13 EP disclosed
US-9309260-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
US-9309260-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
US-9085587-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
US-9085587-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
US-20130302282-A1 Inhibitors of Hepatitis C Virus PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-14 US disclosed
US-20130302282-A1 Inhibitors of Hepatitis C Virus PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-14 US disclosed
US-20120276051-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-11-01 US disclosed
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. 2012-10-04 US disclosed
WO-2012058125-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-03 WO 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 (3 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-20120276051-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS KDM4E 3905/4885ALDH1A1 1654/4885HPGD 2919/4885
US-20130302282-A1 Inhibitors of Hepatitis C Virus HAVCR2, LIPC, HCCS KDM4E 3905/4885ALDH1A1 1654/4885HPGD 2919/4885
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS KDM4E 3905/4885ALDH1A1 1654/4885HPGD 2919/4885

“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.