SCHEMBL27201452

SCHEMBL27201452

CN(C)CCNC(=O)c1cc2cc(Br)ccc2cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
ALDH1A1 P00352 4/20 0.52
HPGD P15428 2/20 0.52
ALOX12 P18054 1/20 0.52
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAP3K5 Q99683 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
EGFR P00533 1/20 0.41
HTR2C P28335 1/20 0.41
ALOX5 P09917 1/20 0.41
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL30834216 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1HPGDALOX12KDM4E
SCHEMBL21531034 0.81 CYP1A2 (0.57) CYP1A2ALDH1A1HPGDALOX12KDM4E
SCHEMBL27201439 0.76 PRKD3 (0.45) KDM4EL3MBTL1NFKB1NFKB2RELA
SCHEMBL30885290 0.76 PRKD3 (0.45) KDM4EL3MBTL1NFKB1NFKB2RELA
SCHEMBL21531020 0.75 KDM4E (0.58) CYP1A2ALDH1A1HPGDKDM4EALOX15
SCHEMBL21531022 0.73 KDM4E (0.55) CYP1A2ALDH1A1HPGDKDM4ELMNA
SCHEMBL17469874 0.73 EGFR (0.53) ALDH1A1KDM4EEGFR
SCHEMBL31165703 0.73 LCK (0.55) CYP1A2ALDH1A1HPGDKDM4ELMNA
SCHEMBL30481293 0.72 KDM4E (0.56) ALDH1A1KDM4ELMNAGLAMAP3K5
SCHEMBL14684656 0.72 KDM4E (0.56) ALDH1A1KDM4ELMNAGLAMAP3K5

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-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-25 US disclosed
WO-2024073502-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-04 WO 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-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS GID4, MDM2, XIAP CYP1A2 3527/4885ALDH1A1 1247/4885HPGD 1760/4885

“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.