SCHEMBL1515768

SCHEMBL1515768

CCOc1cc(C=O)cc(F)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.61
▸ ALDH1A1 P00352 7/20 0.58
▸ ALOX5 P09917 2/20 0.48
▸ STAT3 P40763 2/20 0.48
▸ NFE2L2 Q16236 2/20 0.48
▸ PTGES O14684 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ TUBB1 Q9H4B7 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 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
SCHEMBL3576792 0.89 ALDH1A1 (0.67) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1004449 0.89 KDM4E (0.69) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9065484 0.87 KDM4E (0.48) KDM4EALDH1A1ALOX5STAT3NFE2L2
SCHEMBL15553080 0.86 KDM4E (0.75) KDM4EALDH1A1ALOX5PTGS1L3MBTL1
SCHEMBL8996063 0.85 KDM4E (0.47) KDM4EALDH1A1ALOX5STAT3NFE2L2
SCHEMBL403220 0.83 KDM4E (0.61) KDM4EALDH1A1ALOX5PTGS1L3MBTL1
SCHEMBL1515859 0.83 TUBB1 (0.52) KDM4EALDH1A1L3MBTL1TUBB1CYP1A2
SCHEMBL8585914 0.83 KDM4E (0.66) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1527149 0.83 KDM4E (0.61) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL564282 0.82 ALOX5 (0.66) ALDH1A1ALOX5STAT3NFE2L2PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9283229-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-03-15 — — US disclosed
US-20150224107-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2015-08-13 — — US disclosed
US-9067893-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2015-06-30 — — US disclosed
US-20140235640-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-08-21 — — US disclosed
US-8741915-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-06-03 — — US disclosed
US-20120208817-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC (US) 2012-08-16 — — US disclosed
EP-2480086-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, LLC (US) 2012-08-01 — — EP disclosed
WO-2011038204-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2011-03-31 — — 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-20140235640-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 KDM4E 3194/4885ALDH1A1 207/4885ALOX5 682/4885
US-20120208817-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 KDM4E 3194/4885ALDH1A1 207/4885ALOX5 682/4885
US-20150224107-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 KDM4E 3194/4885ALDH1A1 207/4885ALOX5 682/4885

“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.

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