SCHEMBL16293825

SCHEMBL16293825

O=Cc1ccnc(CNCCCCNC2(Cc3ccccc3)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.39
▸ KDM4A O75164 1/20 0.37
▸ KDM4B O94953 1/20 0.37
▸ KDM5C P41229 1/20 0.37
▸ KDM5B Q9UGL1 1/20 0.37
▸ MAOA P21397 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ SIRT2 Q8IXJ6 3/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ SIGMAR1 Q99720 3/20 0.33
▸ MAOB P27338 1/20 0.32
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 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
SCHEMBL17984961 0.80 CHRM2 (0.36) CHRM2KDM4AKDM4BKDM5CKDM5B
SCHEMBL16291866 0.74 KDM5B (0.44) KDM4AKDM4BKDM5CKDM5BHDAC3
SCHEMBL16006904 0.74 ACKR3 (0.39) CHRM2KDM4AKDM4BKDM5CKDM5B
SCHEMBL16292333 0.70 KDM5B (0.40) CHRM2KDM4AKDM5CKDM5BSIRT2
SCHEMBL23036046 0.70 MAOB (0.46) KDM4AKDM4BKDM5CKDM5BMAOA
SCHEMBL16293382 0.69 CHRM2 (0.42) CHRM2KDM4AKDM5CKDM5BSIRT2
SCHEMBL15994294 0.69 CYP3A4 (0.43) —
SCHEMBL16006930 0.69 CHRM2 (0.41) CHRM2KDM4AKDM5CKDM5BLMNA
SCHEMBL16293691 0.66 KDM5B (0.43) KDM4AKDM5CKDM5BSIRT2
SCHEMBL15994191 0.66 SIRT2 (0.41) CHRM2KDM4AKDM4BKDM5CKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 CHRM2 3004/4885KDM4A 20/4885KDM4B 52/4885

“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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