SCHEMBL20764531

SCHEMBL20764531

CC(C)Oc1cc(C(=O)Nc2ccc(C(=O)O)cc2)ccc1NC(=O)c1ccc(NC(=O)C(CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 3/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ MAPT P10636 6/20 0.45
▸ HTT P42858 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MYC P01106 2/20 0.42
▸ MAX P61244 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ CD40 P25942 1/20 0.41
▸ CD40LG P29965 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ MITF O75030 1/20 0.41
▸ CCR5 P51681 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ TOP2A P11388 1/20 0.40
▸ LMNA P02545 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
SCHEMBL20764528 1.00 EP300 (0.49) EP300HIF1AMEN1KMT2AMAPT
SCHEMBL20764436 0.87 MEN1 (0.47) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL20764435 0.87 MEN1 (0.47) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL20764523 0.86 EP300 (0.52) EP300HIF1AMEN1KMT2AMAPT
SCHEMBL20764525 0.86 EP300 (0.52) EP300HIF1AMEN1KMT2AMAPT
SCHEMBL22076727 0.85 CD40 (0.39) EP300HIF1AMEN1KMT2AMAPT
SCHEMBL22076728 0.85 CD40 (0.39) EP300HIF1AMEN1KMT2AMAPT
SCHEMBL22076741 0.83 CD40 (0.40) EP300HIF1AMEN1KMT2AMAPT
SCHEMBL22076742 0.83 CD40 (0.40) EP300HIF1AMEN1KMT2AMAPT
SCHEMBL28372866 0.83 MEN1 (0.49) MEN1KMT2AMAPTHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1589/4885MEN1 2023/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 EP300 4224/4885HIF1A 1978/4885MEN1 2097/4885

“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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