SCHEMBL17544465

SCHEMBL17544465

C=C(C)c1cnc(CNCc2cc(C(=O)OC)cc(C)n2)n1Cc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ P2RX3 P56373 2/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM5A P29375 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CES2 O00748 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL17545112 0.91 CNR2 (0.38) TP53CNR2KDM5AKDM5BCES2
SCHEMBL17544778 0.86 TP53 (0.39) TP53MAPTPOLBP2RX3SMN1; SMN2
SCHEMBL17544774 0.85 TP53 (0.40) TP53MAPTPOLBP2RX3SMN1; SMN2
SCHEMBL17544718 0.84 TP53 (0.39) TP53MAPTPOLBP2RX3TLR7
SCHEMBL17544719 0.84 TP53 (0.39) TP53MAPTPOLBP2RX3TLR7
SCHEMBL17545165 0.82 CYP11B1 (0.36) TP53MAPTPOLBP2RX3TLR7
SCHEMBL17544753 0.82 TP53 (0.36) TP53MAPTPOLBP2RX3CNR2
SCHEMBL17544934 0.82 TP53 (0.41) TP53MAPTPOLBP2RX3SMN1; SMN2
SCHEMBL17544533 0.81 TP53 (0.40) TP53MAPTPOLBP2RX3SMN1; SMN2
SCHEMBL17683843 0.80 TP53 (0.40) TP53MAPTPOLBP2RX3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
EP-3186238-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-07-05 — — EP disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 — — WO disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 — — WO 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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 TP53 190/4885MAPT 4137/4885POLB 637/4885

“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