SCHEMBL24925532

SCHEMBL24925532

CC(C)(C)c1ncc(C(=O)NN)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
MPO P05164 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C19 P33261 1/20 0.42
HDAC1 Q13547 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
MAPT P10636 3/20 0.40
BLM P54132 2/20 0.39
P2RX7 Q99572 2/20 0.39
KDM5A P29375 1/20 0.39
GFER P55789 1/20 0.39
PMP22 Q01453 1/20 0.39
HIF1A Q16665 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
GAA P10253 4/20 0.38

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
SCHEMBL22387209 0.82 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC2
SCHEMBL20757528 0.82 BAZ2B (0.45) HDAC1HDAC6HTTHDAC3HDAC2
SCHEMBL7323223 0.78 SMYD3 (0.50) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL24714801 0.78 NNMT (0.45) KDM4EALDH1A1LMNAL3MBTL1
SCHEMBL1434818 0.75 ALDH1A1 (0.52) KDM4ECYP1A2CYP2C19MAPTALDH1A1
SCHEMBL2635238 0.75 HDAC1 (0.69) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL4595467 0.74 MAPK1 (0.52) KDM4EMAPTGFERCA1CA2
SCHEMBL22394861 0.73 CA1 (0.52) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL24925816 0.73 KDM4E (0.42) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL18742612 0.73 KDM4E (0.42) KDM4EMPOCYP3A4CYP1A2ADORA3

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-20230022696-A1 SMALL MOLECULE INHIBITORS OF AUTOPHAGY AND HISTONE DEACTYLASES AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2023-01-26 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-20230022696-A1 SMALL MOLECULE INHIBITORS OF AUTOPHAGY AND HISTONE DEACTYLASES AND USES THEREOF HDAC5, HDAC4, HDAC7 KDM4E 205/4885MPO 1408/4885CYP3A4 2784/4885

“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.