SCHEMBL25820302

SCHEMBL25820302

CC(C)NC(=O)c1cncc(C(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.56
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGDS O60760 1/20 0.43
EIF2S1 P05198 1/20 0.42
EIF2AK3 Q9NZJ5 1/20 0.42
ROCK2 O75116 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MLYCD O95822 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 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
SCHEMBL13932937 0.87 XDH (0.64) XDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL799384 0.84 GAA (0.46) XDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL19321636 0.83 MEN1 (0.43) XDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL18100450 0.81 ATM (0.61) XDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL9906384 0.81 ATM (0.61) XDHKDM4EALDH1A1HPGDMEN1
SCHEMBL10141691 0.80 KDM4E (0.47) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL25473381 0.80 MLYCD (0.46) XDHALDH1A1HPGDLMNAMLYCD
SCHEMBL31226783 0.79 XDH (0.56) XDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL13702135 0.79 KDM4E (0.62) XDHKDM4EALDH1A1HPGDMEN1
SCHEMBL18100441 0.79 XDH (0.56) XDHKDM4EALDH1A1HSD17B10HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA XDH 4355/4885KDM4E 4219/4885ALDH1A1 3871/4885

“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.