SCHEMBL23575194

SCHEMBL23575194

COC(=O)c1cnc(-c2ccc(C(C)(C)C)cc2)c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ SLC6A2 P23975 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ TNKS O95271 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TNKS2 Q9H2K2 2/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ EP300 Q09472 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TRPV1 Q8NER1 4/20 0.37
▸ EGFR P00533 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ UCK2 Q9BZX2 1/20 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
SCHEMBL14953338 0.70 MMP2 (0.47) GAAALDH1A1LMNAKDM4EGLA
SCHEMBL2254056 0.70 KDM4E (0.50) GAAALDH1A1LMNAKDM4EGLA
SCHEMBL13008716 0.67 CA1 (0.62) GAAALDH1A1LMNASLC6A2MAPK1
SCHEMBL29597652 0.67 MAPK1 (0.51) KDM4ESLC6A2KMT2AF2MAPK1
SCHEMBL20494823 0.67 ALDH1A1 (0.47) GAAALDH1A1LMNAKDM4EGLA
SCHEMBL30071268 0.67 ALDH1A1 (0.47) GAAALDH1A1LMNAKDM4EGLA
SCHEMBL17868544 0.66 MAPT (0.52) ALDH1A1LMNAKDM4EMMP2KMT2A
SCHEMBL1773302 0.66 CDC7 (0.50) ALDH1A1LMNAKDM4ESLC6A2KMT2A
SCHEMBL17868409 0.65 PIN1 (0.47) ALDH1A1LMNAKDM4EMMP2KMT2A
Hydrochloric Acid SCHEMBL27309553 0.65 MAPT (0.51) ALDH1A1LMNAKDM4EMMP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4371982-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2024-05-22 — — EP disclosed
EP-3583096-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-03-27 — — EP disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 — — US disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 — — US disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 — — US disclosed
CN-110520413-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2023-02-17 — — CN disclosed
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-07-01 — — US disclosed
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-07-01 — — 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-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC GAA 978/4885ALDH1A1 2364/4885LMNA 1857/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC GAA 978/4885ALDH1A1 2364/4885LMNA 1857/4885

“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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