SCHEMBL17542370

SCHEMBL17542370

O=C[C@]1(COc2ccc(C(=O)O)cc2[N+](=O)[O-])CCCc2cc(Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ KMT2A Q03164 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PLA2G4B P0C869 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MCL1 Q07820 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PRSS1 P07477 3/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ CASP6 P55212 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
SCHEMBL17542371 1.00 KDM4E (0.41) KDM4EKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL19284772 0.94 KDM4E (0.40) KDM4EKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL19284774 0.94 KDM4E (0.40) KDM4EKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL26194437 0.92 LMNA (0.41) KDM4EKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL26314559 0.90 ALDH1A1 (0.40) KDM4EKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL26314564 0.89 KMT2A (0.42) KDM4EKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL29436357 0.88 KDM4E (0.38) KDM4EKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL17558480 0.88 KDM4E (0.38) KDM4EKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL17558482 0.88 KDM4E (0.38) KDM4EKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL18468872 0.87 KDM4E (0.37) KDM4EKMT2ASMN1; SMN2NPC1ALDH1A1

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12552808-B2 Diol desymmetrization by nucleophilic aromatic substitution AMGEN INC. (US) 2026-02-17 — — US disclosed
US-12091425-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2024-09-17 — — US disclosed
US-12024529-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2024-07-02 — — US disclosed
US-12024529-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2024-07-02 — — US disclosed
US-12024529-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2024-07-02 — — US disclosed
US-20230365588-A1 DIOL DESYMMETRIZATION BY NUCLEOPHILIC AROMATIC SUBSTITUTION AMGEN INC. (US) 2023-11-16 — — US disclosed
US-20230365588-A1 DIOL DESYMMETRIZATION BY NUCLEOPHILIC AROMATIC SUBSTITUTION AMGEN INC. (US) 2023-11-16 — — US disclosed
US-20230365588-A1 DIOL DESYMMETRIZATION BY NUCLEOPHILIC AROMATIC SUBSTITUTION AMGEN INC. (US) 2023-11-16 — — US disclosed
US-20230271981-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-08-31 — — US disclosed
US-20230271981-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-08-31 — — US disclosed
US-20170088560-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2017-03-30 — — US disclosed
US-20170088560-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2017-03-30 — — US disclosed
US-9562061-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2017-02-07 — — US disclosed
US-9562061-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2017-02-07 — — US disclosed
US-9562061-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2017-02-07 — — US disclosed
US-20160068545-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2016-03-10 — — US disclosed
US-20160068545-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2016-03-10 — — US disclosed
US-20160068545-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2016-03-10 — — US disclosed
WO-2016033486-A1 TETRAHYDRONAPHTHALENE DERIVATIVES THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2016-03-03 — — WO disclosed
WO-2016033486-A1 TETRAHYDRONAPHTHALENE DERIVATIVES THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2016-03-03 — — WO 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 (7 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-20230271981-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL2L1, BCL9 KDM4E 2252/4885KMT2A 1837/4885SMN1; SMN2 2311/4885
US-12552808-B2 Diol desymmetrization by nucleophilic aromatic substitution MCL1, BAK1, BCL2 KDM4E 3370/4885KMT2A 2283/4885SMN1; SMN2 158/4885
US-12024529-B2 Compounds that inhibit MCL-1 protein MCL1, BCL2L1, BCL9 KDM4E 2252/4885KMT2A 1837/4885SMN1; SMN2 2311/4885
US-20160068545-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 KDM4E 1959/4885KMT2A 1766/4885SMN1; SMN2 1807/4885
US-20170088560-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 KDM4E 1959/4885KMT2A 1766/4885SMN1; SMN2 1807/4885
US-20230365588-A1 DIOL DESYMMETRIZATION BY NUCLEOPHILIC AROMATIC SUBSTITUTION MCL1, BAK1, BCL2A1 KDM4E 1125/4885KMT2A 793/4885SMN1; SMN2 3223/4885
US-12091425-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 KDM4E 1959/4885KMT2A 1766/4885SMN1; SMN2 1807/4885

“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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