SCHEMBL23670205

SCHEMBL23670205

O=CC1(COc2ccc(C(=O)O)cc2[N+](=O)[O-])CCOc2cc(Cl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ PLA2G4B P0C869 1/20 0.38
▸ RXRA P19793 1/20 0.38
▸ HNF4A P41235 1/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAP3K14 Q99558 2/20 0.37
▸ PRSS1 P07477 3/20 0.36

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
SCHEMBL29554351 0.88 MAPT (0.39) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL29414575 0.88 MAPT (0.39) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL19284747 0.88 MAPT (0.39) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL19284743 0.88 MAPT (0.39) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL27152060 0.86 KDM4E (0.41) KMT2AMEN1MAPTKDM4EPLA2G4B
SCHEMBL19284774 0.84 KDM4E (0.40) KMT2AMEN1MAPTKDM4EPLA2G4B
SCHEMBL19284772 0.84 KDM4E (0.40) KMT2AMEN1MAPTKDM4EPLA2G4B
SCHEMBL17542371 0.83 KDM4E (0.41) KMT2AMEN1MAPTKDM4EPLA2G4B
SCHEMBL23670407 0.83 KDM4E (0.39) KMT2AMEN1MAPTKDM4EPLA2G4B
SCHEMBL17542370 0.83 KDM4E (0.41) KMT2AMEN1MAPTKDM4EPLA2G4B

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-20240067660-A1 MACROCYCLIC SPIROCYCLE DERIVATIVES AS MCL-1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-02-29 — — US disclosed
US-20210230189-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2021-07-29 — — 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 (2 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-20210230189-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 KMT2A 1766/4885MEN1 999/4885MAPT 3153/4885
US-20240067660-A1 MACROCYCLIC SPIROCYCLE DERIVATIVES AS MCL-1 INHIBITORS MCL1, BCL2A1, BCL2L1 KMT2A 1986/4885MEN1 269/4885MAPT 3918/4885

“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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