SCHEMBL22889591

SCHEMBL22889591

CC(C)C(=O)c1cc(N)c(O)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.48
KDM4E B2RXH2 4/20 0.48
DBH P09172 1/20 0.48
RECQL P46063 1/20 0.48
FFAR1 O14842 1/20 0.47
MAPT P10636 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 5/20 0.35
LMNA P02545 2/20 0.35
GSK3B P49841 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
HTT P42858 2/20 0.33
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL22889639 0.90 GAA (0.53) GAAKDM4EDBHRECQLFFAR1
SCHEMBL10744489 0.87 RECQL (0.42) GAAKDM4EDBHRECQLFFAR1
SCHEMBL22889592 0.78 KDM4E (0.59) GAAKDM4EDBHRECQLFFAR1
SCHEMBL9962964 0.78 GAA (0.56) GAAKDM4EDBHRECQLFFAR1
SCHEMBL27599090 0.78 GAA (0.69) GAAKDM4EDBHRECQLFFAR1
SCHEMBL6357899 0.77 KDM4E (0.63) GAAKDM4EDBHRECQLFFAR1
SCHEMBL10819621 0.77 KDM4E (0.47) GAAKDM4EDBHRECQLFFAR1
SCHEMBL13410609 0.77 GAA (0.57) GAAKDM4EDBHRECQLFFAR1
SCHEMBL16256439 0.75 KDM4E (0.54) GAAKDM4EDBHRECQLFFAR1
SCHEMBL10146785 0.74 KDM4E (0.44) GAAKDM4EDBHRECQLFFAR1

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-20210009551-A1 COMPOUNDS AND METHODS FOR TREATING FIBROSIS OR CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-01-14 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-20210009551-A1 COMPOUNDS AND METHODS FOR TREATING FIBROSIS OR CANCER MMP1, MMP8, SERPINB1 GAA 1080/4885KDM4E 2804/4885DBH 1159/4885

“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.