SCHEMBL26844617

SCHEMBL26844617

BCc1ccc2nc3c(cc2c1CN(C)C)Cn1c-3cc2c(c1=O)CCC(=O)C2(O)CC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ KDM4E B2RXH2 3/20 0.64
▸ MAPT P10636 3/20 0.64
▸ USP2 O75604 2/20 0.64
▸ LMNA P02545 2/20 0.64
▸ CASP1 P29466 2/20 0.64
▸ BRCA1 P38398 2/20 0.64
▸ CASP7 P55210 2/20 0.64
▸ HBB P68871 2/20 0.64
▸ KEAP1 Q14145 2/20 0.64
▸ NFE2L2 Q16236 2/20 0.64
▸ HIF1A Q16665 2/20 0.64
▸ SLC22A2 O15244 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ TOP2A P11388 1/20 0.64
▸ TOP2B Q02880 1/20 0.64
▸ SLC47A2 Q86VL8 1/20 0.64

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
SCHEMBL26843302 0.90 TOP1 (0.66) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL12308325 0.90 TOP1 (0.78) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL26844524 0.87 TOP1 (0.64) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL26843261 0.87 TOP1 (0.64) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL15721371 0.87 TOP1 (0.64) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL26843312 0.82 TOP1 (0.85) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL26843251 0.82 TOP1 (0.67) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL26844537 0.82 TOP1 (0.67) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13696745 0.82 TOP1 (0.64) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13896461 0.81 TOP1 (0.83) TOP1MEN1KMT2ASMN1; SMN2KDM4E

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-11834458-B2 Anti-cancer nuclear hormone receptor-targeting compounds NUVATION BIO INC. (US) 2023-12-05 — — 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-11834458-B2 Anti-cancer nuclear hormone receptor-targeting compounds NCOA1, NCOR1, NCOA3 TOP1 531/4885MEN1 2250/4885KMT2A 2014/4885

“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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