SCHEMBL23574396

SCHEMBL23574396

CCOC(=O)c1cnc(-c2ccc(C(C)(C)C)cc2)[nH]c1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
L3MBTL1 Q9Y468 4/20 0.64
ALDH1A1 P00352 3/20 0.60
MAPT P10636 6/20 0.52
GAA P10253 3/20 0.52
NPC1 O15118 2/20 0.52
MEN1 O00255 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
COMT P21964 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA6 P23280 1/20 0.42

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
SCHEMBL4376727 0.89 KDM4E (0.76) KDM4EL3MBTL1ALDH1A1MAPTGAA
SCHEMBL4949585 0.85 KDM4E (0.63) KDM4EL3MBTL1ALDH1A1MAPTGAA
SCHEMBL2897245 0.85 KDM4E (0.72) KDM4EL3MBTL1ALDH1A1MAPTGAA
SCHEMBL11628696 0.84 KDM4E (0.75) KDM4EL3MBTL1ALDH1A1MAPTGAA
SCHEMBL4763787 0.84 KDM4E (0.64) KDM4EL3MBTL1ALDH1A1MAPTGAA
SCHEMBL8949035 0.83 KDM4E (0.60) KDM4EL3MBTL1ALDH1A1MAPTGAA
SCHEMBL23575033 0.82 TNKS (0.50) COMTTNKSTNKS2
SCHEMBL9199571 0.81 KDM4E (0.67) KDM4EL3MBTL1ALDH1A1MAPTGAA
SCHEMBL11632471 0.78 KDM4E (0.70) KDM4EL3MBTL1ALDH1A1MAPTGAA
SCHEMBL22712554 0.78 USP2 (0.48) KDM4EL3MBTL1ALDH1A1MAPTGAA

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 7 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
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 KDM4E 1763/4885L3MBTL1 778/4885ALDH1A1 2364/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC KDM4E 1763/4885L3MBTL1 778/4885ALDH1A1 2364/4885

“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.