SCHEMBL16912748

SCHEMBL16912748

CCCCCCCCCCCCCCCC(=O)OC[CH]COC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 14/20 0.71
▸ KDM5C P41229 8/20 0.71
▸ KDM5A P29375 8/20 0.71
▸ KDM4C Q9H3R0 2/20 0.71
▸ KDM4A O75164 2/20 0.61
▸ KDM6B O15054 1/20 0.61
▸ KDM2B Q8NHM5 1/20 0.61
▸ KDM5D Q9BY66 1/20 0.60
▸ DNM1 Q05193 1/20 0.36
▸ THRA P10827 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ JMJD6 Q6NYC1 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL15636393 0.87 KDM5B (0.67) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL15636559 0.87 KDM5B (0.66) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL16291629 0.85 KDM5B (0.64) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL19565446 0.85 KDM5B (0.64) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL16912747 0.85 KDM5B (0.50) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL19676437 0.84 KDM5B (0.61) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL19676377 0.84 KDM5B (0.63) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL15637431 0.84 KDM5B (1.00) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL19676470 0.83 KDM5B (0.86) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL16925985 0.83 KDM5B (0.61) KDM5BKDM5CKDM5AKDM4CKDM4A

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 4 patents. 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
US-20170320827-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2017-11-09 — — US disclosed
US-9611219-B2 — — 2017-04-04 — — US disclosed
US-20150203453-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2015-07-23 — — 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 (3 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-20150203453-A1 INHIBITORS OF HISTONE DEMETHYLASES EHMT1, KDM1B, EHMT2 KDM5B 34/4885KDM5C 31/4885KDM5A 25/4885
US-20170320827-A1 INHIBITORS OF HISTONE DEMETHYLASES EHMT1, KDM1B, EHMT2 KDM5B 34/4885KDM5C 31/4885KDM5A 24/4885
US-10221139-B2 Inhibitors of histone demethylases EHMT1, KDM1B, EHMT2 KDM5B 34/4885KDM5C 31/4885KDM5A 24/4885

“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.

Send feedback