SCHEMBL19741642

SCHEMBL19741642

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 11/20 0.41
▸ KDM5C P41229 7/20 0.40
▸ KDM5A P29375 6/20 0.40
▸ KDM4A O75164 3/20 0.40
▸ KDM6B O15054 1/20 0.40
▸ KDM2B Q8NHM5 1/20 0.40
▸ SIRT2 Q8IXJ6 4/20 0.37
▸ KDM4D Q6B0I6 1/20 0.35
▸ KDM4B O94953 1/20 0.33
▸ KDM4C Q9H3R0 4/20 0.32
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRB2 P47870 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
SCHEMBL19741631 1.00 KDM5B (0.41) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL19741630 1.00 KDM5B (0.41) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL19741686 0.84 KDM5B (0.39) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL19741681 0.84 KDM5B (0.39) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL19741740 0.83 KDM5B (0.42) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL19741738 0.83 KDM5B (0.42) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL19741727 0.81 KDM5B (0.41) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL19741725 0.81 KDM5B (0.41) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL19741677 0.80 KDM5B (0.42) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL19741679 0.80 KDM5B (0.42) 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 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 33/4885KDM5C 16/4885KDM5A 23/4885

“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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