SCHEMBL19601400

SCHEMBL19601400

COc1c(C(=O)Nc2ccc(C(C)=O)cc2OC(C)C)ccc(NC(=O)c2ccc(N)cc2)c1OC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ EP300 Q09472 2/20 0.46
▸ BCL2 P10415 1/20 0.43
▸ BCL2L1 Q07817 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ BAK1 Q16611 1/20 0.43
▸ TOP2A P11388 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL19601433 0.95 EP300 (0.48) MEN1KMT2AALDH1A1EP300BCL2
SCHEMBL19601434 0.92 EP300 (0.44) MEN1KMT2AALDH1A1EP300BCL2
SCHEMBL19601406 0.92 EP300 (0.46) MEN1KMT2AALDH1A1EP300BCL2
SCHEMBL17784958 0.92 EP300 (0.55) MEN1KMT2AEP300BCL2BCL2L1
SCHEMBL16392535 0.90 EP300 (0.55) MEN1KMT2AEP300BCL2BCL2L1
SCHEMBL17784957 0.86 EP300 (0.58) MEN1KMT2AEP300BCL2BCL2L1
SCHEMBL17784953 0.84 EP300 (0.56) MEN1KMT2AEP300BCL2BCL2L1
SCHEMBL17784956 0.84 EP300 (0.53) MEN1KMT2AEP300BCL2BCL2L1
SCHEMBL16371049 0.83 MAPT (0.48) ALDH1A1EP300BCL2BCL2L1MCL1
SCHEMBL19608099 0.82 EP300 (0.43) ALDH1A1EP300BCL2BCL2L1MCL1

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-20170327458-A1 NOVEL CYSTOBACTAMIDES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2017-11-16 — — 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-20170327458-A1 NOVEL CYSTOBACTAMIDES SLC7A11, CTH, CBS MEN1 1768/4885KMT2A 1417/4885ALDH1A1 2022/4885

“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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