SCHEMBL22076685

SCHEMBL22076685

Cc1cc(C#N)ccc1C(=O)Nc1ccc(C(=O)NC(CC(N)=O)C(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)Nc4ccc(C(=O)O)cc4)c(O)c3OC(C)C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.36
▸ MMP2 P08253 1/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CXCR5 P32302 1/20 0.33
▸ F11 P03951 1/20 0.33
▸ PLG P00747 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MDM2 Q00987 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
SCHEMBL20787942 1.00 LRRK2 (0.36) LRRK2MMP2NPC1GAACXCR5
SCHEMBL20764587 0.95 MMP2 (0.35) MMP2F11KMT2A
SCHEMBL20764589 0.95 MMP2 (0.35) MMP2F11KMT2A
SCHEMBL22076702 0.93 MMP2 (0.34) MMP2F11KMT2A
SCHEMBL20787921 0.93 MMP2 (0.34) MMP2F11KMT2A
SCHEMBL20764471 0.92 MMP2 (0.37) MMP2KMT2A
SCHEMBL20764474 0.92 MMP2 (0.37) MMP2KMT2A
SCHEMBL20764547 0.91 MMP2 (0.37) MMP2KMT2A
SCHEMBL20764544 0.91 MMP2 (0.37) MMP2KMT2A
SCHEMBL20764488 0.91 MEN1 (0.41) KMT2ATP53

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 3 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
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

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 LRRK2 1385/4885MMP2 1631/4885NPC1 3291/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 LRRK2 1125/4885MMP2 1862/4885NPC1 3258/4885

“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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