SCHEMBL16293106

SCHEMBL16293106

CC(C)(C)OC(=O)N(CCCCN(Cc1ccccc1)C1CC1)Cc1cc(/C=N/O)ccn1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ L3MBTL1 Q9Y468 6/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ACKR3 P25106 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CXCR4 P61073 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL16293107 1.00 HDAC3 (0.35) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL15994096 0.91 HDAC3 (0.36) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL15994126 0.86 SSTR4 (0.38) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL15994291 0.85 HDAC3 (0.37) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL15994092 0.85 KDM5B (0.42) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL15994119 0.82 KDM5B (0.39) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL15994283 0.81 SSTR4 (0.38) HDAC3HDAC1HDAC2NCOR2SMN1; SMN2
SCHEMBL15994281 0.81 SSTR4 (0.38) HDAC3HDAC1HDAC2NCOR2SMN1; SMN2
SCHEMBL15994243 0.81 HDAC3 (0.35) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL16293699 0.79 ACKR3 (0.39) HDAC3HDAC1HDAC2L3MBTL1ACKR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961736-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2018-04-11 — — EP disclosed
EP-3170811-A1 ETHYL PYRIDINE-4-CARBOXYLATE COMPOUND AS INHIBITOR OF HISTONE DEMETHYLASES Gilead Sciences, Inc. (US) 2017-05-24 — — EP disclosed
US-9650339-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2017-05-16 — — US disclosed
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2016-08-18 — — US disclosed
US-9221801-B2 Inhibitors of histone demethylases EPITHERAPEUTICS APS (DK) 2015-12-29 — — US disclosed
US-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2014-12-18 — — US 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-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A HDAC3 59/4885HDAC1 29/4885HDAC2 54/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A HDAC3 59/4885HDAC1 29/4885HDAC2 54/4885

“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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