SCHEMBL20779104

SCHEMBL20779104

COc1ccccc1ON1CCC(NC(=O)CNCc2cc(C(=O)O)ccn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KDM5B Q9UGL1 5/20 0.41
▸ KDM4A O75164 2/20 0.41
▸ KDM6B O15054 1/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ KDM5C P41229 1/20 0.41
▸ KDM2B Q8NHM5 1/20 0.41
▸ CCR8 P51685 1/20 0.41
▸ PROKR1 Q8TCW9 1/20 0.41
▸ GAA P10253 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ LDHA P00338 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL19574680 0.90 TSHR (0.43) SIGMAR1KDM5BKDM4AKDM6BKDM5A
SCHEMBL15635975 0.86 SIGMAR1 (0.58) SIGMAR1MEN1KMT2AALDH1A1CCR8
SCHEMBL15636850 0.76 DRD4 (0.55) SIGMAR1KDM5BKDM4AKDM6BKDM5A
SCHEMBL15636721 0.75 SIGMAR1 (0.52) SIGMAR1KDM5BKDM4AKDM6BKDM5C
SCHEMBL28168925 0.75 SIGMAR1 (0.51) SIGMAR1MEN1KMT2AALDH1A1CCR8
SCHEMBL15636697 0.75 KDM5C (0.48) SIGMAR1MEN1KMT2AALDH1A1KDM5B
SCHEMBL15994202 0.74 SIGMAR1 (0.59) SIGMAR1MEN1KMT2ACCR8GAA
SCHEMBL16293808 0.74 SIGMAR1 (0.58) SIGMAR1MEN1KMT2ACCR8GAA
SCHEMBL16006929 0.73 SIGMAR1 (0.57) SIGMAR1MEN1KMT2AL3MBTL1CCR8
SCHEMBL15637624 0.73 MCHR1 (0.46) SIGMAR1KDM5BKDM4AKDM6BKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10221139-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2019-03-05 — — 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-10221139-B2 Inhibitors of histone demethylases EHMT1, KDM1B, EHMT2 SIGMAR1 3287/4885MEN1 4042/4885KMT2A 47/4885

“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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