SCHEMBL22264451

SCHEMBL22264451

C[C@H](C[C@H](Sc1ccccc1)N(C)C)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 14/20 0.73
▸ BCL2 P10415 9/20 0.73
▸ MDM4 O15151 1/20 0.73
▸ BCL2L11 O43521 1/20 0.73
▸ TP53 P04637 1/20 0.73
▸ BID P55957 1/20 0.73
▸ BAX Q07812 1/20 0.73
▸ MCL1 Q07820 1/20 0.73
▸ ASPH Q12797 1/20 0.73
▸ BECN1 Q14457 1/20 0.73
▸ BAK1 Q16611 1/20 0.73
▸ BCL2L2 Q92843 1/20 0.73
▸ BAD Q92934 1/20 0.73
▸ BBC3 Q9BXH1 1/20 0.73
▸ HDAC3 O15379 5/20 0.69
▸ HDAC4 P56524 5/20 0.69
▸ HDAC1 Q13547 5/20 0.69
▸ HDAC7 Q8WUI4 5/20 0.69
▸ HDAC2 Q92769 5/20 0.69
▸ HDAC10 Q969S8 5/20 0.69

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
SCHEMBL4738074 0.91 HDAC3 (0.76) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL4739285 0.90 HDAC3 (0.77) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL4737770 0.90 HDAC3 (0.77) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL1541470 0.89 BCL2L1 (0.84) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL2022327 0.89 BCL2L1 (0.80) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL21437307 0.87 BCL2L1 (0.80) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL570848 0.87 BCL2L1 (0.74) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL1540259 0.86 BCL2L1 (0.87) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL17080401 0.86 BCL2L1 (0.66) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL18229918 0.86 BCL2L1 (0.74) BCL2L1BCL2MDM4BCL2L11TP53

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
WO-2023192183-A1 PHARMACEUTICAL COMBINATIONS AND METHODS OF USE OF AMINO-PYRROLOPYRIMIDINONE COMPOUND MERCK SHARP & DOHME LLC (US) 2023-10-05 — — WO claimed
US-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER G1 THERAPEUTICS, INC. (US) 2020-07-30 — — 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-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER TYMS, TYMP, DPYD BCL2L1 2163/4885BCL2 1328/4885MDM4 236/4885

“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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