SCHEMBL16369604

SCHEMBL16369604

CC(C)OC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)n2)c(OC(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 4/20 0.59
▸ MAX P61244 4/20 0.59
▸ BCL2 P10415 1/20 0.55
▸ BCL2L1 Q07817 1/20 0.55
▸ MCL1 Q07820 1/20 0.55
▸ BAK1 Q16611 1/20 0.55
▸ EP300 Q09472 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ AR P10275 1/20 0.48
▸ PELP1 Q8IZL8 1/20 0.48
▸ WDR5 P61964 1/20 0.42
▸ PDK1 Q15118 1/20 0.42
▸ MAPT P10636 5/20 0.42
▸ TOP2A P11388 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ APP P05067 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 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
SCHEMBL16369623 0.89 BCL2 (0.62) MYCMAXBCL2BCL2L1MCL1
SCHEMBL16392512 0.85 EP300 (0.66) MYCMAXEP300HIF1AAR
SCHEMBL16369611 0.84 BCL2 (0.69) MYCMAXBCL2BCL2L1MCL1
SCHEMBL16392472 0.82 BCL2 (0.68) MYCMAXBCL2BCL2L1MCL1
SCHEMBL4651409 0.81 MYC (0.59) MYCMAXBCL2BCL2L1MCL1
SCHEMBL4653661 0.81 MYC (0.59) MYCMAXBCL2BCL2L1MCL1
SCHEMBL17795677 0.80 EP300 (0.53) MYCMAXEP300HIF1AAR
SCHEMBL16392556 0.79 EP300 (0.52) MYCMAXEP300HIF1AAR
SCHEMBL17795679 0.77 EP300 (0.50) MYCMAXEP300HIF1AAR
SCHEMBL17795676 0.77 EP300 (0.52) MYCMAXEP300HIF1AAR

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225503-B2 Crystobactamides Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2022-01-18 — — US disclosed
US-11225503-B2 Crystobactamides Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2022-01-18 — — US disclosed
EP-3019615-B1 CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2021-04-07 — — EP disclosed
CN-105793424-B Ascomycetes amides 亥姆霍兹感染研究中心有限公司 2021-02-19 — — CN disclosed
US-20200331964-A1 CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2020-10-22 — — US disclosed
US-20200331964-A1 CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2020-10-22 — — US disclosed
US-10793600-B2 Cystobactamides Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-10-06 — — US disclosed
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
US-20190185514-A1 CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2019-06-20 — — US disclosed
US-20160145304-A1 CYSTOBACTAMIDES HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2016-05-26 — — US disclosed
US-20160145304-A1 CYSTOBACTAMIDES HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2016-05-26 — — US disclosed
EP-3019615-A2 CYSTOBACTAMIDES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2016-05-18 — — EP disclosed
WO-2015003816-A2 CYSTOBACTAMIDES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2015-01-15 — — WO disclosed
WO-2015003816-A2 CYSTOBACTAMIDES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2015-01-15 — — 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 (5 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-20160145304-A1 CYSTOBACTAMIDES CTH, SLC7A11, CBS MYC 2363/4885MAX 3953/4885BCL2 2186/4885
US-11225503-B2 Crystobactamides PKD2, SLC7A11, CTH MYC 3391/4885MAX 4641/4885BCL2 2103/4885
US-20190185514-A1 CYSTOBACTAMIDES CTH, SLC7A11, SULT2A1 MYC 3303/4885MAX 4549/4885BCL2 3703/4885
US-20200331964-A1 CYSTOBACTAMIDES CTH, SLC7A11, SULT2A1 MYC 3082/4885MAX 4540/4885BCL2 3481/4885
US-10793600-B2 Cystobactamides CTH, SLC7A11, SULT2A1 MYC 3574/4885MAX 4624/4885BCL2 3856/4885

“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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