SCHEMBL17775428

SCHEMBL17775428

CC(C)OC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)c(OC(C)C)c2)c(OC(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 5/20 0.50
▸ EP300 Q09472 2/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ MAPT P10636 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ HTT P42858 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ AR P10275 1/20 0.46
▸ PELP1 Q8IZL8 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CYP19A1 P11511 1/20 0.44

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
SCHEMBL16392516 0.98 KCNMA1 (0.52) KCNMA1EP300HIF1AMAPTKDM4E
SCHEMBL17775423 0.94 MAPT (0.50) KCNMA1EP300HIF1AMAPTKDM4E
SCHEMBL17775426 0.93 MAPT (0.55) KCNMA1EP300HIF1AMAPTKDM4E
SCHEMBL17775424 0.91 MAPT (0.50) KCNMA1EP300HIF1AMAPTKDM4E
SCHEMBL16392495 0.90 EP300 (0.60) KCNMA1EP300HIF1AMAPTKDM4E
SCHEMBL16392538 0.89 MAPT (0.47) KCNMA1EP300HIF1AMAPTKDM4E
SCHEMBL16392506 0.86 EP300 (0.48) EP300HIF1AMAPTSMN1; SMN2HTT
SCHEMBL17795757 0.85 MAPT (0.51) KCNMA1EP300HIF1AMAPTKDM4E
SCHEMBL17795756 0.85 MAPT (0.52) KCNMA1EP300HIF1AMAPTKDM4E
SCHEMBL17775425 0.85 EP300 (0.54) KCNMA1EP300HIF1AMAPTKDM4E

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-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

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-20160145304-A1 CYSTOBACTAMIDES CTH, SLC7A11, CBS KCNMA1 2221/4885EP300 3526/4885HIF1A 2049/4885

“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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