SCHEMBL25613052

SCHEMBL25613052

Cc1c[nH]c2nc(OCCN3CCC3)c(C(C)(C)C)cc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 6/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HRH3 Q9Y5N1 5/20 0.36
▸ NUAK1 O60285 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL25613066 0.90 CYP3A4 (0.46) ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL25624526 0.88 CYP2C19 (0.40) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL25613048 0.81 TSHR (0.35) —
SCHEMBL25613054 0.79 LTA4H (0.45) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL25613041 0.79 ADRA2A (0.33) CYP2D6CYP2C19
SCHEMBL25624610 0.78 CYP3A4 (0.42) ALDH1A1CYP2D6
SCHEMBL25613042 0.76 MAP3K7 (0.37) SMN1; SMN2HTTL3MBTL1
SCHEMBL25613402 0.76 CNR2 (0.36) CYP1A2CYP2C19L3MBTL1TDP1
SCHEMBL25613175 0.75 ADRA2A (0.37) —
SCHEMBL25613040 0.74 MAPK1 (0.31) —

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-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-25 — — 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-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS BCL2, BCL2L2, BCL2L1 ALDH1A1 3019/4885KDM4E 2788/4885CYP1A2 2573/4885

“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.

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