SCHEMBL20980464

SCHEMBL20980464

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
APP P05067 5/20 0.44
PDE2A O00408 1/20 0.43
MAOB P27338 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
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

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 0.82 MAOB (0.43) SMN1; SMN2ALDH1A1LMNACNR1CNR2
SCHEMBL9987222 0.79 CNR1 (0.44) SMN1; SMN2ALDH1A1LMNACNR1CNR2
SCHEMBL20564322 0.78 CNR2 (0.43) SMN1; SMN2ALDH1A1LMNACNR1CNR2
SCHEMBL20980452 0.78 CYP17A1 (0.41) CNR1CNR2NPSR1NPC1RAB9A
SCHEMBL24738071 0.76 APP (0.50) SMN1; SMN2ALDH1A1LMNAAPPPDE2A
SCHEMBL6401853 0.76 APP (0.50) SMN1; SMN2ALDH1A1LMNAAPPPDE2A
SCHEMBL3196355 0.75 CNR1 (0.43) SMN1; SMN2ALDH1A1LMNACNR1CNR2
SCHEMBL31514820 0.75 CNR1 (0.43) SMN1; SMN2ALDH1A1LMNACNR1CNR2
SCHEMBL22323930 0.75 APP (0.50) SMN1; SMN2ALDH1A1LMNACNR1CNR2
SCHEMBL31517985 0.75 NPC1 (0.46) SMN1; SMN2ALDH1A1LMNAAPPPDE2A

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-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-05-09 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-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE KDM5A, KDM5B, KDM5C SMN1; SMN2 2544/4885ALDH1A1 1687/4885LMNA 1984/4885

“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.