SCHEMBL17775441

SCHEMBL17775441

COC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ LMNA P02545 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ CTSV O60911 4/20 0.44
▸ CTSL P07711 4/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ ADRA1D P25100 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ MYC P01106 1/20 0.41
▸ MAX P61244 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40

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
SCHEMBL16369625 0.90 CTSV (0.48) MEN1KMT2ALMNACTSVCTSL
SCHEMBL27883383 0.84 SIRT6 (0.43) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL16040428 0.83 MEN1 (0.57) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL15123739 0.83 LMNA (0.48) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL17775433 0.83 MYC (0.54) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL16392505 0.82 AKR1C3 (0.39) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL20764575 0.80 MEN1 (0.49) MEN1KMT2ALMNAALDH1A1CTSV
SCHEMBL30625926 0.80 MEN1 (0.49) MEN1KMT2ALMNAALDH1A1CTSV
SCHEMBL28511094 0.80 MYC (0.51) MEN1KMT2ACTSVCTSLMAPT
SCHEMBL16369635 0.78 MYC (0.62) MEN1KMT2ACTSVCTSLMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225503-B2 Crystobactamides Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2022-01-18 — — US disclosed
EP-3019615-B1 CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2021-04-07 — — EP disclosed
US-20200331964-A1 CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2020-10-22 — — US disclosed
US-10793600-B2 Cystobactamides Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-10-06 — — US disclosed
US-20190185514-A1 CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2019-06-20 — — 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 (5 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 MEN1 1314/4885KMT2A 1531/4885LMNA 4753/4885
US-11225503-B2 Crystobactamides PKD2, SLC7A11, CTH MEN1 1524/4885KMT2A 1984/4885LMNA 4269/4885
US-20190185514-A1 CYSTOBACTAMIDES CTH, SLC7A11, SULT2A1 MEN1 1050/4885KMT2A 1445/4885LMNA 4548/4885
US-20200331964-A1 CYSTOBACTAMIDES CTH, SLC7A11, SULT2A1 MEN1 1286/4885KMT2A 1108/4885LMNA 4717/4885
US-10793600-B2 Cystobactamides CTH, SLC7A11, SULT2A1 MEN1 1099/4885KMT2A 1416/4885LMNA 4545/4885

“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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