SCHEMBL16293148

SCHEMBL16293148

CN(C)C/C=C\CN(Cc1cc(CO)ccn1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM5B Q9UGL1 5/20 0.33
▸ KDM5A P29375 3/20 0.33
▸ KDM2B Q8NHM5 2/20 0.33
▸ LNPEP Q9UIQ6 2/20 0.33
▸ KDM4C Q9H3R0 2/20 0.33
▸ KDM5C P41229 3/20 0.32
▸ KDM6B O15054 1/20 0.32
▸ KDM4A O75164 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ SLC22A12 Q96S37 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ EGFR P00533 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HTT P42858 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
SCHEMBL16292793 1.00 RECQL (0.36) RECQLL3MBTL1KDM5BKDM5AKDM2B
SCHEMBL16292791 1.00 RECQL (0.36) RECQLL3MBTL1KDM5BKDM5AKDM2B
SCHEMBL15996211 0.84 SSTR4 (0.40) RECQLKDM5BLNPEPKDM5C
SCHEMBL16293333 0.84 SSTR4 (0.40) RECQLKDM5BLNPEPKDM5C
SCHEMBL15994292 0.84 SSTR4 (0.40) RECQLKDM5BLNPEPKDM5C
SCHEMBL16293671 0.84 KDM5B (0.34) L3MBTL1KDM5BKDM5AKDM2BKDM4C
SCHEMBL16293226 0.84 KDM5B (0.34) L3MBTL1KDM5BKDM5AKDM2BKDM4C
SCHEMBL16293228 0.84 KDM5B (0.34) L3MBTL1KDM5BKDM5AKDM2BKDM4C
SCHEMBL16293114 0.81 LNPEP (0.34) L3MBTL1LNPEP
SCHEMBL16293117 0.81 LNPEP (0.34) L3MBTL1LNPEP

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 RECQL 246/4885L3MBTL1 661/4885KDM5B 27/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A RECQL 246/4885L3MBTL1 661/4885KDM5B 27/4885

“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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