SCHEMBL21137831

SCHEMBL21137831

COc1cc(C(=O)Nc2ccc(C(=O)O)cc2OC(C)C)ccc1NC(=O)c1ccc(N)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 3/20 0.64
▸ BCL2 P10415 1/20 0.60
▸ BCL2L1 Q07817 1/20 0.60
▸ MCL1 Q07820 1/20 0.60
▸ BAK1 Q16611 1/20 0.60
▸ HIF1A Q16665 1/20 0.54
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ MAPT P10636 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ AHR P35869 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL17775429 0.95 EP300 (0.69) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL16392526 0.92 MEN1 (0.58) EP300MEN1KMT2AMAPTALDH1A1
SCHEMBL17784958 0.87 EP300 (0.55) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL16392535 0.87 EP300 (0.55) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL24089198 0.85 EP300 (0.81) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL17784957 0.85 EP300 (0.58) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL17784956 0.85 EP300 (0.53) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL17784953 0.85 EP300 (0.56) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL16392473 0.83 BCL2 (0.83) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL16392498 0.83 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10793600-B2 Cystobactamides Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-10-06 — — US disclosed
US-20190185514-A1 CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2019-06-20 — — 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 (2 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-20190185514-A1 CYSTOBACTAMIDES CTH, SLC7A11, SULT2A1 EP300 3359/4885BCL2 3703/4885BCL2L1 1668/4885
US-10793600-B2 Cystobactamides CTH, SLC7A11, SULT2A1 EP300 3514/4885BCL2 3856/4885BCL2L1 1795/4885

“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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