SCHEMBL17795676

SCHEMBL17795676

COc1c([N+](=O)[O-])ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2OC(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ AR P10275 1/20 0.51
▸ PELP1 Q8IZL8 1/20 0.51
▸ MYC P01106 3/20 0.45
▸ MAX P61244 3/20 0.45
▸ ABCC1 P33527 9/20 0.43
▸ ABCB1 P08183 8/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ G6PD P11413 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ WDR5 P61964 1/20 0.41

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
SCHEMBL17795679 0.93 EP300 (0.50) EP300HIF1AARPELP1MYC
SCHEMBL16392556 0.93 EP300 (0.52) EP300HIF1AARPELP1MYC
SCHEMBL16392496 0.90 AR (0.58) EP300HIF1AARPELP1MYC
SCHEMBL17795677 0.89 EP300 (0.53) EP300HIF1AARPELP1MYC
SCHEMBL17795757 0.85 MAPT (0.51) EP300HIF1AARPELP1KDM4E
SCHEMBL16392551 0.85 AR (0.57) ARPELP1ABCC1ABCB1KDM4E
SCHEMBL19608100 0.85 EP300 (0.49) EP300HIF1AABCB1KDM4EMAPT
SCHEMBL17795756 0.83 MAPT (0.52) EP300HIF1AARPELP1KDM4E
SCHEMBL16392512 0.83 EP300 (0.66) EP300HIF1AARPELP1MYC
SCHEMBL23739277 0.82 TOP2A (0.42) EP300KDM4EMAPTALDH1A1SMN1; SMN2

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-20170327458-A1 NOVEL CYSTOBACTAMIDES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2017-11-16 — — US disclosed
WO-2016082934-A1 NOVEL CYSTOBACTAMIDES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2016-06-02 — — 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 (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 4074/4885HIF1A 2229/4885AR 3151/4885

“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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