SCHEMBL17544574

SCHEMBL17544574

COC(=O)c1cc(C)nc(C=NO)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.60
▸ L3MBTL1 Q9Y468 4/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ ALDH1A1 P00352 5/20 0.45
▸ KMT2A Q03164 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ GAA P10253 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ XDH P47989 1/20 0.40

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
SCHEMBL17544573 1.00 KDM4E (0.60) KDM4EL3MBTL1ALOX15ALDH1A1KMT2A
SCHEMBL28850562 0.83 KDM4E (0.65) KDM4EL3MBTL1ALOX15ALDH1A1KMT2A
SCHEMBL17545041 0.82 KDM4E (0.49) KDM4EL3MBTL1ALOX15ALDH1A1KMT2A
SCHEMBL17545044 0.80 KDM4E (0.55) KDM4EL3MBTL1ALOX15ALDH1A1KMT2A
SCHEMBL17549904 0.80 KDM4E (0.55) KDM4EL3MBTL1ALOX15ALDH1A1KMT2A
SCHEMBL17544988 0.80 KDM4E (0.55) KDM4EL3MBTL1ALOX15ALDH1A1KMT2A
SCHEMBL18358206 0.79 KDM4E (0.46) KDM4EL3MBTL1ALOX15ALDH1A1KMT2A
SCHEMBL5204247 0.79 KDM4E (0.61) KDM4EL3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL9288795 0.74 KDM4E (0.55) KDM4EL3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL24092263 0.73 KDM4E (0.53) KDM4EL3MBTL1ALDH1A1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
CN-107074807-A Compositions and methods for inhibiting histone demethylase 吉利德科学公司 2017-08-18 — — CN disclosed
EP-3186238-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-07-05 — — EP disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 — — 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 (1 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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 KDM4E 8/4885L3MBTL1 600/4885ALOX15 4414/4885

“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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