SCHEMBL17795757

SCHEMBL17795757

COc1c(C(=O)Nc2ccc(C(=O)OC(C)C)cc2OC(C)C)ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.51
▸ KDM4E B2RXH2 5/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ HTT P42858 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KCNMA1 Q12791 2/20 0.45
▸ EP300 Q09472 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.43
▸ AR P10275 1/20 0.43
▸ PELP1 Q8IZL8 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL17795756 0.93 MAPT (0.52) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL17795679 0.89 EP300 (0.50) MAPTKDM4EALDH1A1SMN1; SMN2EP300
SCHEMBL19608099 0.88 EP300 (0.43) MAPTKDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL17795676 0.85 EP300 (0.52) MAPTKDM4EALDH1A1SMN1; SMN2EP300
SCHEMBL17775426 0.85 MAPT (0.55) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL17775428 0.85 KCNMA1 (0.50) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL16392556 0.85 EP300 (0.52) MAPTKDM4EALDH1A1SMN1; SMN2EP300
SCHEMBL16392516 0.85 KCNMA1 (0.52) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL17795678 0.85 EP300 (0.47) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL23739277 0.84 TOP2A (0.42) MAPTKDM4EALDH1A1SMN1; SMN2NPC1

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 MAPT 3445/4885KDM4E 2993/4885ALDH1A1 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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