SCHEMBL20764575

SCHEMBL20764575

CC(C)Oc1c([N+](=O)[O-])ccc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)c1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.49
▸ KMT2A Q03164 8/20 0.49
▸ MAPT P10636 7/20 0.48
▸ ALDH1A1 P00352 5/20 0.46
▸ GAA P10253 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LMNA P02545 4/20 0.45
▸ GLA P06280 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MYC P01106 1/20 0.42
▸ MAX P61244 1/20 0.42
▸ SENP5 Q96HI0 1/20 0.41
▸ SENP2 Q9HC62 1/20 0.41
▸ SENP1 Q9P0U3 1/20 0.41
▸ SLC12A2 P55011 1/20 0.40
▸ SLC12A5 Q9H2X9 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ MAPK1 P28482 2/20 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
SCHEMBL30625926 1.00 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL20764595 0.87 CTSV (0.44) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL17775441 0.80 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL17775433 0.80 MYC (0.54) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL16369635 0.79 MYC (0.62) MEN1KMT2AMAPTGAAMYC
SCHEMBL16369625 0.79 CTSV (0.48) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL20764535 0.76 ALDH1A1 (0.50) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL28511094 0.74 MYC (0.51) MEN1KMT2AMAPTMYCMAX
SCHEMBL31311063 0.73 SMN1; SMN2 (0.42) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL31311006 0.71 ALDH1A1 (0.52) MEN1KMT2AMAPTALDH1A1GAA

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 MEN1 2023/4885KMT2A 2115/4885MAPT 3731/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 MEN1 2097/4885KMT2A 2307/4885MAPT 3863/4885

“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.

Send feedback