SCHEMBL20764600

SCHEMBL20764600

CC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)NC(CC(N)=O)C(=O)Nc3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc(C(=O)O)cc5)c(O)c4OC(C)C)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.37
▸ APBA1 Q02410 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ HDAC1 Q13547 5/20 0.37
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ PLG P00747 1/20 0.35
▸ PLAU P00749 1/20 0.35
▸ EP300 Q09472 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ POLB P06746 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
SCHEMBL20764599 1.00 CACNA1B (0.37) CACNA1BAPBA1MMP2MEN1KMT2A
SCHEMBL22076698 0.94 MMP2 (0.38) MMP2MEN1KMT2ARXFP1HDAC1
SCHEMBL22076696 0.94 MMP2 (0.38) MMP2MEN1KMT2ARXFP1HDAC1
SCHEMBL20764481 0.94 MEN1 (0.44) MMP2MEN1KMT2ARXFP1HDAC1
SCHEMBL20764482 0.94 MEN1 (0.44) MMP2MEN1KMT2ARXFP1HDAC1
SCHEMBL20764477 0.93 MEN1 (0.37) MMP2MEN1KMT2ARXFP1HDAC1
SCHEMBL20764473 0.93 MEN1 (0.37) MMP2MEN1KMT2ARXFP1HDAC1
SCHEMBL20764475 0.92 MITF (0.43) MMP2HDAC1HDAC3HDAC2NCOR2
SCHEMBL20764714 0.92 EP300 (0.40) MMP2MEN1KMT2ARXFP1HDAC1
SCHEMBL20764478 0.92 MITF (0.43) MMP2HDAC1HDAC3HDAC2NCOR2

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 5 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
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 CACNA1B 1054/4885APBA1 1145/4885MMP2 1631/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 CACNA1B 1242/4885APBA1 975/4885MMP2 1862/4885

“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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