SCHEMBL19601406

SCHEMBL19601406

COc1c(NC(=O)c2ccc(N)cc2)ccc(C(=O)Nc2ccc(C(C)=O)cc2OC(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 3/20 0.46
▸ BCL2 P10415 1/20 0.42
▸ BCL2L1 Q07817 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ BAK1 Q16611 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TOP2A P11388 3/20 0.41
▸ MAPT P10636 4/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39

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
SCHEMBL17784953 0.92 EP300 (0.56) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL19601434 0.92 EP300 (0.44) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL19601400 0.92 MEN1 (0.47) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL19601433 0.89 EP300 (0.48) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL16371049 0.87 MAPT (0.48) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL16392463 0.86 EP300 (0.57) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL17784956 0.84 EP300 (0.53) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL17775416 0.84 EP300 (0.48) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL17784958 0.84 EP300 (0.55) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL16392535 0.84 EP300 (0.55) EP300BCL2BCL2L1MCL1BAK1

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 EP300 4074/4885BCL2 3241/4885BCL2L1 2277/4885

“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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