SCHEMBL20565263

SCHEMBL20565263

COc1ccc(COc2nc(-n3ccnc3)nc(-c3cnn(CC(=O)O)c3)c2C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 5/20 0.37
CYP3A4 P08684 5/20 0.37
TBXAS1 P24557 5/20 0.37
NOS2 P35228 2/20 0.37
ALKBH1 Q13686 1/20 0.36
KDM5B Q9UGL1 3/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
CYP19A1 P11511 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL20564185 0.91 TBXAS1 (0.39) CYP26A1CYP3A4TBXAS1NOS2KDM5B
SCHEMBL20565461 0.85 KDM5B (0.38) TBXAS1NOS2KDM5BCYP19A1KDM4E
SCHEMBL20564820 0.83 CYP19A1 (0.38) CYP26A1CYP3A4TBXAS1NOS2ALKBH1
SCHEMBL20564651 0.81 CYP26A1 (0.47) CYP26A1CYP3A4TBXAS1NOS2CYP19A1
SCHEMBL20564478 0.81 KDM5B (0.37) KDM5BKMT2ATDP1
SCHEMBL20564198 0.81 CYP26A1 (0.39) CYP26A1CYP3A4TBXAS1NOS2CYP19A1
SCHEMBL20564189 0.77 CYP26A1 (0.49) CYP26A1CYP3A4TBXAS1NOS2CYP19A1
SCHEMBL20564907 0.75 KDM4E (0.41) TBXAS1NOS2CYP19A1KDM4EALDH1A1
SCHEMBL20565455 0.73 KDM5B (0.36) KDM5B
SCHEMBL20957912 0.72 CCNC (0.41) KDM5B

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-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-05-09 US disclosed
US-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-05-09 US disclosed
WO-2018213777-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-11-22 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-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE KDM5A, KDM5B, KDM5C CYP26A1 2715/4885CYP3A4 3097/4885TBXAS1 1521/4885

“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.