SCHEMBL16293263

SCHEMBL16293263

CN(C)C(=O)CN(Cc1cc(CNCC#N)ccn1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 13/20 0.38
▸ KDM5C P41229 8/20 0.37
▸ KDM5A P29375 6/20 0.36
▸ KDM4A O75164 3/20 0.36
▸ KDM6B O15054 1/20 0.36
▸ KDM2B Q8NHM5 1/20 0.36
▸ CTSL P07711 3/20 0.36
▸ CTSS P25774 3/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ KDM4C Q9H3R0 2/20 0.34
▸ KDM5D Q9BY66 1/20 0.33
▸ KDM4B O94953 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32

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
SCHEMBL15995647 0.85 CTSS (0.36) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16292660 0.82 HDAC1 (0.39) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15994410 0.81 LOXL2 (0.40) KDM5BHDAC1HDAC6L3MBTL1
SCHEMBL16006934 0.80 KDM5B (0.49) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15994403 0.77 KDM5B (0.34) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL18860201 0.77 KDM5B (0.32) KDM5BKDM5CKDM4AKDM4BCTSB
SCHEMBL16293798 0.73 KDM5B (0.48) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16292752 0.72 SMN1; SMN2 (0.38) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16292750 0.72 SMN1; SMN2 (0.38) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16293303 0.69 KDM5B (0.48) KDM5BKDM5CKDM5AKDM4AKDM6B

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 KDM5B 27/4885KDM5C 16/4885KDM5A 21/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A KDM5B 27/4885KDM5C 16/4885KDM5A 21/4885

“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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