SCHEMBL16293240

SCHEMBL16293240

CN(C)CCCCCN(Cc1cc(CO)ccn1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.38
▸ KDM5B Q9UGL1 6/20 0.37
▸ KDM5C P41229 5/20 0.37
▸ KDM5A P29375 4/20 0.37
▸ KDM6B O15054 1/20 0.37
▸ KDM4A O75164 1/20 0.37
▸ KDM2B Q8NHM5 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4C Q9H3R0 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM5D Q9BY66 1/20 0.34
▸ TOP2A P11388 1/20 0.33
▸ TOP2B Q02880 1/20 0.33

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
SCHEMBL15994032 0.84 KDM5C (0.42) KDM5BKDM5CKDM5AKDM6BKDM4A
SCHEMBL15994070 0.83 SSTR4 (0.44) KDM5BKDM5CKDM5AKDM6BKDM4A
SCHEMBL16293996 0.82 KDM5B (0.38) SIGMAR1KDM5BKDM5CKDM5AKDM6B
SCHEMBL16293303 0.81 KDM5B (0.48) KDM5BKDM5CKDM5AKDM6BKDM4A
SCHEMBL15994180 0.80 SSTR4 (0.45) KDM5BKDM5CKDM5AKDM6BKDM4A
SCHEMBL16293148 0.80 RECQL (0.36) KDM5BKDM5CKDM5AKDM6BKDM4A
SCHEMBL16292793 0.80 RECQL (0.36) KDM5BKDM5CKDM5AKDM6BKDM4A
SCHEMBL16292791 0.80 RECQL (0.36) KDM5BKDM5CKDM5AKDM6BKDM4A
SCHEMBL16292660 0.79 HDAC1 (0.39) KDM5BKDM5CKDM5AKDM6BKDM4A
SCHEMBL16294004 0.78 ACKR3 (0.41) KDM5BKDM5AL3MBTL1KDM4CKDM4E

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 SIGMAR1 2943/4885KDM5B 27/4885KDM5C 16/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A SIGMAR1 2943/4885KDM5B 27/4885KDM5C 16/4885

“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.

Send feedback