SCHEMBL19741738

SCHEMBL19741738

C=CCN(CC=C)C(=O)[C@@H](CCCCNCCC)NCc1cc(C(=O)O)ccn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 13/20 0.42
▸ KDM5A P29375 8/20 0.42
▸ KDM5C P41229 7/20 0.42
▸ KDM4A O75164 3/20 0.42
▸ KDM6B O15054 1/20 0.41
▸ KDM2B Q8NHM5 1/20 0.41
▸ SIRT2 Q8IXJ6 3/20 0.34
▸ KDM4C Q9H3R0 3/20 0.33
▸ KDM5D Q9BY66 1/20 0.33
▸ KDM4B O94953 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ FOLH1 Q04609 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
SCHEMBL19741740 1.00 KDM5B (0.42) KDM5BKDM5AKDM5CKDM4AKDM6B
SCHEMBL19741652 0.84 KDM5B (0.37) KDM5BKDM5AKDM5CKDM4AKDM6B
SCHEMBL19741650 0.84 KDM5B (0.37) KDM5BKDM5AKDM5CKDM4AKDM6B
SCHEMBL19741727 0.84 KDM5B (0.41) KDM5BKDM5AKDM5CKDM4AKDM6B
SCHEMBL19741725 0.84 KDM5B (0.41) KDM5BKDM5AKDM5CKDM4AKDM6B
SCHEMBL19741722 0.84 NPSR1 (0.38) KDM5BKDM5AKDM5CKDM4AKDM6B
SCHEMBL19741720 0.84 NPSR1 (0.38) KDM5BKDM5AKDM5CKDM4AKDM6B
SCHEMBL19741631 0.83 KDM5B (0.41) KDM5BKDM5AKDM5CKDM4AKDM6B
SCHEMBL19741642 0.83 KDM5B (0.41) KDM5BKDM5AKDM5CKDM4AKDM6B
SCHEMBL19741630 0.83 KDM5B (0.41) KDM5BKDM5AKDM5CKDM4AKDM6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 — — US claimed
US-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 — — US disclosed
US-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 — — 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-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM3A, KDM1A KDM5B 33/4885KDM5A 23/4885KDM5C 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.

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