SCHEMBL23574382

SCHEMBL23574382

COC(=O)C(N)Cc1ccc([N+](=O)[O-])c(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.63
▸ MAPT P10636 3/20 0.38
▸ ALDH3A1 P30838 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LDHA P00338 1/20 0.36

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
SCHEMBL23574383 1.00 ALDH1A1 (0.63) ALDH1A1MAPTALDH3A1MEN1KMT2A
SCHEMBL28956928 0.89 ALDH1A1 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL28956927 0.89 ALDH1A1 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL1732723 0.79 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2A
SCHEMBL27372203 0.79 ALDH1A1 (0.97) ALDH1A1MEN1KMT2ALMNA
SCHEMBL3577615 0.78 ALDH1A1 (0.65) ALDH1A1MAPTLMNANPSR1L3MBTL1
SCHEMBL3577611 0.78 ALDH1A1 (0.65) ALDH1A1MAPTLMNANPSR1L3MBTL1
SCHEMBL15359743 0.78 PTPN1 (0.49) ALDH1A1MEN1KMT2ALDHA
SCHEMBL26619810 0.78 PTPN1 (0.49) ALDH1A1MEN1KMT2ALDHA
SCHEMBL2977657 0.78 ALDH1A1 (0.38) ALDH1A1MAPTALDH3A1MEN1KMT2A

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 4 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-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 ALDH1A1 2364/4885MAPT 4006/4885ALDH3A1 3399/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC ALDH1A1 2364/4885MAPT 4006/4885ALDH3A1 3399/4885

“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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