SCHEMBL22819342

SCHEMBL22819342

COc1ccc(-c2nc3ccccc3n2CC(C)C)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.73
ALDH1A1 P00352 9/20 0.71
SMN1; SMN2 Q16637 6/20 0.71
MAPT P10636 6/20 0.71
TP53 P04637 5/20 0.71
NPC1 O15118 1/20 0.71
RAB9A P51151 1/20 0.71
HTT P42858 5/20 0.70
LMNA P02545 4/20 0.70
NPSR1 Q6W5P4 2/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
GAA P10253 2/20 0.70
TSHR P16473 2/20 0.70
CNR2 P34972 1/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
HPGD P15428 4/20 0.69
HIF1A Q16665 1/20 0.69
HSD17B10 Q99714 3/20 0.67
CASR P41180 1/20 0.55

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
SCHEMBL8228786 0.86 ALDH1A1 (0.67) KDM4EALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL10080422 0.85 KDM4E (0.80) KDM4EALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL31267426 0.83 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL30496676 0.82 KDM4E (1.00) KDM4EALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL5582025 0.82 ALDH1A1 (1.00) KDM4EALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL28141462 0.82 KDM4E (0.75) KDM4EALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL10061943 0.80 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL13784140 0.80 HSD17B10 (0.58) KDM4EALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL10061946 0.80 KDM4E (1.00) KDM4EALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL3431636 0.80 ALDH1A1 (0.79) KDM4EALDH1A1SMN1; SMN2MAPTTP53

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-11641857-B2 Unusually potent ABA receptor pan-antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-11641857-B2 Unusually potent ABA receptor pan-antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-20200397000-A1 UNUSUALLY POTENT ABA RECEPTOR PAN-ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-24 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 (2 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-20200397000-A1 UNUSUALLY POTENT ABA RECEPTOR PAN-ANTAGONISTS AAK1, ATP5PO, BROX KDM4E 3630/4885ALDH1A1 4006/4885SMN1; SMN2 4881/4885
US-11641857-B2 Unusually potent ABA receptor pan-antagonists AAK1, ATP5PO, BROX KDM4E 3630/4885ALDH1A1 4006/4885SMN1; SMN2 4881/4885

“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.