SCHEMBL20564322

SCHEMBL20564322

COc1ccc(COc2nc(Cl)nc(C)c2C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.43
CNR1 P21554 2/20 0.43
APP P05067 5/20 0.40
BCHE P06276 1/20 0.40
PDE2A O00408 1/20 0.40
MAOB P27338 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL20564303 0.88 MAOB (0.43) CNR2CNR1APPBCHEPDE2A
SCHEMBL20564797 0.81 HTT (0.42) CNR2CNR1SMN1; SMN2LMNANPC1
SCHEMBL501385 0.79 MAOB (0.42) CNR2CNR1APPBCHEPDE2A
SCHEMBL9987333 0.78 MAOB (0.44) CNR2CNR1APPBCHEPDE2A
SCHEMBL20957936 0.78 RAB9A (0.39) CNR2CNR1NPSR1SMN1; SMN2MAPT
SCHEMBL20980464 0.78 SMN1; SMN2 (0.44) CNR2CNR1APPPDE2AMAOB
SCHEMBL20564656 0.77 RXRA (0.39) CNR2CNR1BCHEPDE2AMAOB
SCHEMBL20565319 0.77 CSF1R (0.48) CNR2CNR1HRH4
SCHEMBL20564425 0.76 LMNA (0.52) CNR2CNR1APPMAOBSMN1; SMN2
SCHEMBL9987222 0.75 CNR1 (0.44) CNR2CNR1APPPDE2AMAOB

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 CNR2 2908/4885CNR1 2906/4885APP 4504/4885

“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.