SCHEMBL16291866

SCHEMBL16291866

O=C(CNCc1cc(C(=O)O)ccn1)NCCCCCNC1(Cc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 11/20 0.44
▸ KDM5C P41229 6/20 0.43
▸ KDM4A O75164 5/20 0.43
▸ KDM4B O94953 2/20 0.43
▸ KDM5A P29375 5/20 0.41
▸ KDM2B Q8NHM5 2/20 0.41
▸ KDM6B O15054 1/20 0.41
▸ OPRL1 P41146 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEP1B Q16820 1/20 0.36
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ KDM4C Q9H3R0 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL16291896 0.78 KDM5B (0.57) KDM5BKDM5CKDM4AKDM4BKDM5A
SCHEMBL16291869 0.78 KDM5B (0.50) KDM5BKDM5CKDM4AKDM4BKDM5A
SCHEMBL16291759 0.76 KDM5B (0.49) KDM5BKDM5CKDM4AKDM4BKDM5A
SCHEMBL16293825 0.74 CHRM2 (0.39) KDM5BKDM5CKDM4AKDM4BKDM4E
SCHEMBL17984961 0.70 CHRM2 (0.36) KDM5BKDM5CKDM4AKDM4BALDH1A1
SCHEMBL15635925 0.69 KDM5B (0.45) KDM5BKDM5CKDM4AKDM4BKDM5A
SCHEMBL16297326 0.68 KDM5B (0.43) KDM5BKDM5CKDM4AKDM4BKDM5A
SCHEMBL15637050 0.67 KDM5B (0.42) KDM5BKDM5CKDM4AKDM4BKDM5A
SCHEMBL15636850 0.67 DRD4 (0.55) KDM5BKDM5CKDM4AKDM4BKDM5A
SCHEMBL15637693 0.66 KDM2B (0.51) KDM5BKDM5CKDM4AKDM4BKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107434803-B Inhibitors of histone demethylases 吉利德科学公司 2020-05-05 — — CN disclosed
US-10221139-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2019-03-05 — — US disclosed
US-10189787-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2019-01-29 — — US disclosed
US-20170320827-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2017-11-09 — — US disclosed
US-9611219-B2 — — 2017-04-04 — — US disclosed
US-9611220-B2 — — 2017-04-04 — — US disclosed
US-20140371195-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 (4 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-10189787-B2 Inhibitors of histone demethylases EHMT1, KDM1B, EHMT2 KDM5B 34/4885KDM5C 31/4885KDM4A 19/4885
US-20140371195-A1 INHIBITORS OF HISTONE DEMETHYLASES EHMT1, KDM1B, EHMT2 KDM5B 34/4885KDM5C 31/4885KDM4A 19/4885
US-20170320827-A1 INHIBITORS OF HISTONE DEMETHYLASES EHMT1, KDM1B, EHMT2 KDM5B 34/4885KDM5C 31/4885KDM4A 19/4885
US-10221139-B2 Inhibitors of histone demethylases EHMT1, KDM1B, EHMT2 KDM5B 34/4885KDM5C 31/4885KDM4A 19/4885

“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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