SCHEMBL20764503

SCHEMBL20764503

C=CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2OCC=C)c(OC(C)C)c1OCC=C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.41
HIF1A Q16665 1/20 0.41
AR P10275 1/20 0.39
PELP1 Q8IZL8 1/20 0.39
MYC P01106 4/20 0.38
MAX P61244 4/20 0.38
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 6/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 2/20 0.35
CYP2C19 P33261 2/20 0.35
RAB9A P51151 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 2/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GLA P06280 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33

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
SCHEMBL20764434 0.90 CYP3A4 (0.43) EP300HIF1AKDM4ECYP3A4ALDH1A1
SCHEMBL15956265 0.89 KDM4E (0.38) ARPELP1KDM4ECYP3A4ALDH1A1
SCHEMBL20764535 0.87 ALDH1A1 (0.50) EP300HIF1AALDH1A1SMN1; SMN2GAA
SCHEMBL20764511 0.84 ALDH1A1 (0.42) EP300KDM4ECYP3A4ALDH1A1SMN1; SMN2
SCHEMBL17368444 0.83 KMT2A (0.41) CYP3A4ALDH1A1SMN1; SMN2GAACYP2C19
SCHEMBL22099969 0.81 ALDH1A1 (0.37) EP300HIF1AARPELP1MYC
SCHEMBL20764495 0.81 TSHR (0.37) EP300HIF1AKDM4EALDH1A1GAA
SCHEMBL20764500 0.80 ALDH1A1 (0.34) EP300HIF1AKDM4ECYP3A4ALDH1A1
SCHEMBL31311006 0.80 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL15956169 0.79 CYP3A4 (0.44) KDM4ECYP3A4ALDH1A1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997627-B Cyst amide derivatives 亥姆霍兹感染研究中心有限公司 2023-10-10 CN disclosed
US-11034648-B2 Cystobactamide derivatives HELMHOLTZ-ZENTRUM FÜR (DE) 2021-06-15 US disclosed
US-11034648-B2 Cystobactamide derivatives HELMHOLTZ-ZENTRUM FÜR (DE) 2021-06-15 US disclosed
EP-3672937-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-07-01 EP disclosed
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 US disclosed
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 US disclosed
CN-110997627-A Novel cystobacter amide derivatives 亥姆霍兹感染研究中心有限公司 2020-04-10 CN disclosed
WO-2019038405-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-02-28 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 (2 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-11034648-B2 Cystobactamide derivatives CTH, CBS, SLC7A11 EP300 3960/4885HIF1A 1589/4885AR 2710/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 EP300 4224/4885HIF1A 1978/4885AR 2854/4885

“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.