SCHEMBL17775425

SCHEMBL17775425

CC(C)Oc1cc(C(=O)O)ccc1NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 3/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ MAPT P10636 6/20 0.52
▸ KCNMA1 Q12791 4/20 0.50
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ MYC P01106 1/20 0.46
▸ MAX P61244 1/20 0.46
▸ BCL2 P10415 1/20 0.46
▸ BCL2L1 Q07817 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ BAK1 Q16611 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ AKR1C3 P42330 1/20 0.45
▸ AKR1C2 P52895 1/20 0.45

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
SCHEMBL16392539 0.96 EP300 (0.52) EP300HIF1AMAPTKCNMA1MEN1
SCHEMBL16392543 0.96 MAPT (0.56) EP300HIF1AMAPTKCNMA1MEN1
SCHEMBL16392495 0.94 EP300 (0.60) EP300HIF1AMAPTKCNMA1MEN1
SCHEMBL16392501 0.94 KCNMA1 (0.56) EP300HIF1AMAPTKCNMA1MEN1
SCHEMBL17775423 0.91 MAPT (0.50) EP300HIF1AMAPTKCNMA1MEN1
SCHEMBL17775424 0.87 MAPT (0.50) EP300HIF1AMAPTKCNMA1MEN1
SCHEMBL17775426 0.87 MAPT (0.55) EP300HIF1AMAPTKCNMA1MEN1
SCHEMBL16392516 0.86 KCNMA1 (0.52) EP300HIF1AMAPTKCNMA1MEN1
SCHEMBL16392522 0.86 EP300 (0.53) EP300HIF1AMAPTMEN1KMT2A
SCHEMBL16392475 0.85 ALOX15 (0.51) EP300HIF1AMAPTKCNMA1MEN1

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 EP300 3526/4885HIF1A 2049/4885MAPT 3395/4885

“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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