SCHEMBL26194437

SCHEMBL26194437

CC(=O)c1ccc(OC[C@@]2(C=O)CCCc3cc(Cl)ccc32)c([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ G6PD P11413 1/20 0.36
▸ ALOX12 P18054 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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 0.92 KDM4E (0.41) LMNASMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL17542370 0.92 KDM4E (0.41) LMNASMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL26314559 0.91 ALDH1A1 (0.40) LMNASMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL26314564 0.90 KMT2A (0.42) LMNASMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL17558482 0.89 KDM4E (0.38) LMNASMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL29436357 0.89 KDM4E (0.38) LMNASMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL17558480 0.89 KDM4E (0.38) LMNASMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL18468872 0.88 KDM4E (0.37) LMNASMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL22894686 0.87 S1PR4 (0.51) LMNASMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL17542388 0.87 PLA2G4B (0.39) LMNASMN1; SMN2POLBKDM4EALDH1A1

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-20230271981-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-08-31 — — 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-20230271981-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL2L1, BCL9 LMNA 1204/4885SMN1; SMN2 2311/4885POLB 2381/4885

“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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