SCHEMBL22076742

SCHEMBL22076742

C=CCOc1c(C(=O)O)ccc(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)C(CC(=O)NC(c4ccccc4)(c4ccccc4)c4ccccc4)NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(OC(C)C)c2OCC=C)c1OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.40
▸ CD40LG P29965 1/20 0.40
▸ MEN1 O00255 6/20 0.38
▸ KMT2A Q03164 6/20 0.38
▸ MAPT P10636 5/20 0.38
▸ HTT P42858 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ABCG2 Q9UNQ0 2/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ EP300 Q09472 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ MITF O75030 1/20 0.35
▸ ERO1A Q96HE7 1/20 0.34
▸ GFER P55789 1/20 0.34

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
SCHEMBL22076741 1.00 CD40 (0.40) CD40CD40LGMEN1KMT2AMAPT
SCHEMBL22076728 0.97 CD40 (0.39) CD40CD40LGMEN1KMT2AMAPT
SCHEMBL22076727 0.97 CD40 (0.39) CD40CD40LGMEN1KMT2AMAPT
SCHEMBL22076681 0.91 MAPT (0.42) CD40CD40LGMEN1KMT2AMAPT
SCHEMBL22076680 0.91 MAPT (0.42) CD40CD40LGMEN1KMT2AMAPT
SCHEMBL22076699 0.88 POLB (0.34) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL22076701 0.88 POLB (0.34) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL22076690 0.86 MAPT (0.42) CD40CD40LGMEN1KMT2AMAPT
SCHEMBL22076691 0.86 MAPT (0.42) CD40CD40LGMEN1KMT2AMAPT
SCHEMBL20764438 0.84 POLB (0.37) 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 2 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
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 — — 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 (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 CD40 4306/4885CD40LG 4625/4885MEN1 2023/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 CD40 4454/4885CD40LG 4691/4885MEN1 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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