SCHEMBL20764482

SCHEMBL20764482

CC(C)Oc1c(NC(=O)c2ccc(NC(=O)C(CC(N)=O)NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cc2)ccc(C(=O)Nc2ccc(C(=O)O)cc2)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ FFAR1 O14842 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PLAU P00749 2/20 0.39
▸ PLG P00747 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ HDAC1 Q13547 4/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ HDAC3 O15379 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ NCOR2 Q9Y618 2/20 0.37

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
SCHEMBL20764481 1.00 MEN1 (0.44) MEN1KMT2ARXFP1FFAR1NPC1
SCHEMBL22076698 0.95 MMP2 (0.38) MEN1KMT2ARXFP1NPC1PLAU
SCHEMBL22076696 0.95 MMP2 (0.38) MEN1KMT2ARXFP1NPC1PLAU
SCHEMBL22076724 0.94 KMT2A (0.52) MEN1KMT2ARXFP1ALDH1A1LMNA
SCHEMBL20764725 0.94 KMT2A (0.52) MEN1KMT2ARXFP1ALDH1A1LMNA
SCHEMBL22076692 0.94 PLG (0.40) MEN1KMT2ARXFP1NPC1ALDH1A1
SCHEMBL22076694 0.94 PLG (0.40) MEN1KMT2ARXFP1NPC1ALDH1A1
SCHEMBL22076693 0.94 PLG (0.40) MEN1KMT2ARXFP1NPC1ALDH1A1
SCHEMBL20764599 0.94 CACNA1B (0.37) MEN1KMT2ARXFP1HTTSMN1; SMN2
SCHEMBL20764477 0.94 MEN1 (0.37) MEN1KMT2ARXFP1NPC1LMNA

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 MEN1 2023/4885KMT2A 2115/4885RXFP1 896/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 MEN1 2097/4885KMT2A 2307/4885RXFP1 1126/4885

“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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