SCHEMBL25613239

SCHEMBL25613239

Cc1cc(C(C)(C)C)nc2c1NCCCO2

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CRHBP P24387 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
CRHR2 Q13324 1/20 0.32
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
UHRF1 Q96T88 1/20 0.30

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
SCHEMBL25612973 0.91 MAPT (0.35) HTR1DHTR1BALDH1A1LMNAGAA
SCHEMBL25612969 0.71
SCHEMBL20416985 0.71 UHRF1 (0.39) CASP1CASP7KDM4EALDH1A1GLA
SCHEMBL25612956 0.71 HTR1D (0.39) CASP1CASP7MEN1CYP1A2CRHBP
SCHEMBL25645122 0.70 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL22803431 0.68 MAP4K1 (0.39)
SCHEMBL25612974 0.67 MAPT (0.35) HTR1DHTR1BALDH1A1LMNAGAA
SCHEMBL22693042 0.67 ALDH1A1 (0.41) CASP1CASP7KDM4EALDH1A1GLA
SCHEMBL25612971 0.67
SCHEMBL22695460 0.66 MAP4K1 (0.39)

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 CASP1 81/4885CASP7 31/4885MEN1 4012/4885

“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.