SCHEMBL17775424

SCHEMBL17775424

CC(C)OC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3OC(C)C)cc2O)c(OC(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KCNMA1 Q12791 4/20 0.49
▸ HTT P42858 3/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CYP19A1 P11511 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.43
▸ EP300 Q09472 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.42

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
SCHEMBL17775423 0.96 MAPT (0.50) MAPTKDM4EALDH1A1SMN1; SMN2KCNMA1
SCHEMBL17775426 0.95 MAPT (0.55) MAPTKDM4EALDH1A1SMN1; SMN2KCNMA1
SCHEMBL16392516 0.93 KCNMA1 (0.52) MAPTKDM4EALDH1A1SMN1; SMN2KCNMA1
SCHEMBL16392538 0.92 MAPT (0.47) MAPTKDM4EALDH1A1SMN1; SMN2KCNMA1
SCHEMBL16392539 0.91 EP300 (0.52) MAPTKDM4EALDH1A1KCNMA1HTT
SCHEMBL17775428 0.91 KCNMA1 (0.50) MAPTKDM4EALDH1A1SMN1; SMN2KCNMA1
SCHEMBL17775425 0.87 EP300 (0.54) MAPTKDM4EALDH1A1KCNMA1HTT
SCHEMBL16392501 0.87 KCNMA1 (0.56) MAPTKDM4EALDH1A1SMN1; SMN2KCNMA1
SCHEMBL16392543 0.85 MAPT (0.56) MAPTKCNMA1HTTMEN1KMT2A
SCHEMBL16392525 0.85 TUBB4A (0.42) MAPTALDH1A1SMN1; SMN2HTTLMNA

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 MAPT 3395/4885KDM4E 3714/4885ALDH1A1 2000/4885

“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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