SCHEMBL23670407

SCHEMBL23670407

O=CC1(COc2ccc(C(=O)O)cc2[N+](=O)[O-])CCC(F)(F)c2cc(Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ PLA2G4B P0C869 1/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ PRSS1 P07477 4/20 0.37
▸ CASP6 P55212 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 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
SCHEMBL23687458 0.88 LMNA (0.36) KDM4EKMT2AMEN1SMN1; SMN2POLB
SCHEMBL29552814 0.88 LMNA (0.36) KDM4EKMT2AMEN1SMN1; SMN2POLB
SCHEMBL19284772 0.85 KDM4E (0.40) KDM4EPLA2G4BKMT2AMEN1SMN1; SMN2
SCHEMBL19284774 0.85 KDM4E (0.40) KDM4EPLA2G4BKMT2AMEN1SMN1; SMN2
SCHEMBL17542370 0.84 KDM4E (0.41) KDM4EPLA2G4BKMT2AMEN1SMN1; SMN2
SCHEMBL17542371 0.84 KDM4E (0.41) KDM4EPLA2G4BKMT2AMEN1SMN1; SMN2
SCHEMBL23670205 0.83 KMT2A (0.40) KDM4EPLA2G4BKMT2AMEN1SMN1; SMN2
SCHEMBL19285095 0.82 KMT2A (0.39) KDM4EPLA2G4BKMT2AMEN1SMN1; SMN2
SCHEMBL26194437 0.76 LMNA (0.41) KDM4EKMT2AMEN1SMN1; SMN2POLB
SCHEMBL26314559 0.74 ALDH1A1 (0.40) KDM4EKMT2AMEN1SMN1; SMN2POLB

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-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 (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-20210230189-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 KDM4E 1959/4885PLA2G4B 3308/4885KMT2A 1766/4885

“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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