SCHEMBL24025355

SCHEMBL24025355

CC(C)C(=O)Cc1cccnc1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATM Q13315 1/20 0.33
SLC13A5 Q86YT5 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
TKT P29401 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
P2RX7 Q99572 1/20 0.32
SMN1; SMN2 Q16637 3/20 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
SCHEMBL353361 0.81 KDM4E (0.59) CYP1A2KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL2085063 0.80 GABRA1 (0.42) CYP1A2KDM4EMAPTCYP3A4CYP2C8
SCHEMBL24260237 0.77 KDM4E (0.39) CYP1A2KDM4EMAPTCYP2C9CYP2C19
SCHEMBL353255 0.77 MAPT (0.44) CYP1A2KDM4EMAPTCYP3A4CYP2C19
SCHEMBL6115316 0.77 TRIM24 (0.39) CYP1A2KDM4EMAPTALDH1A1TRIM24
SCHEMBL8309858 0.75 TRIM24 (0.42) CYP1A2KDM4EMAPTALDH1A1TRIM24
SCHEMBL3296819 0.75 KDM4E (0.42) CYP1A2KDM4EMAPTALDH1A1HTT
SCHEMBL4031836 0.74 NPSR1 (0.34) CYP1A2KDM4EMAPTCYP3A4CYP2C8
Benzene SCHEMBL11824212 0.74 TRIM24 (0.37) CYP1A2KDM4EMAPTSLC13A5ALDH1A1
SCHEMBL4030524 0.73 MAOA (0.41) KDM4EALDH1A1P2RX7NPC1RAB9A

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-20210356473-A1 SOLID-PHASE N-TERMINAL PEPTIDE CAPTURE AND RELEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-11-18 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-20210356473-A1 SOLID-PHASE N-TERMINAL PEPTIDE CAPTURE AND RELEASE ANPEP, MAX, DNPEP CYP1A2 4885/4885KDM4E 4100/4885MAPT 2741/4885

“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.