SCHEMBL23574239

SCHEMBL23574239

Brc1ccc(CC2CCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GBA1 P04062 1/20 0.41
LTA4H P09960 1/20 0.40
MEN1 O00255 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6770189 0.95 KMT2A (0.46) SLC6A2SLC6A4KMT2ANPC1RAB9A
SCHEMBL19110509 0.93 LTA4H (0.46) SLC6A2SLC6A4KMT2ANPC1RAB9A
SCHEMBL1119520 0.91 SLC6A2 (0.46) SLC6A2SLC6A4GBA1
Ammonia Solution, Strong SCHEMBL987776 0.88 SLC6A2 (0.45) SLC6A2SLC6A4GBA1
SCHEMBL578602 0.81 GBA1 (0.66) SLC6A2SLC6A4GBA1HRH3
SCHEMBL2090678 0.81 SLC6A2 (0.41) SLC6A2SLC6A4GBA1
SCHEMBL24622493 0.81 SLC6A2 (0.41) SLC6A2SLC6A4GBA1
SCHEMBL578726 0.78 SLC6A2 (0.52) SLC6A2SLC6A4
SCHEMBL19302171 0.77 KEAP1 (0.45) NPC1RAB9AGBA1HRH3
SCHEMBL23898435 0.77 GBA1 (0.41) KMT2AGBA1LTA4HHRH3

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
CN-110520413-A Big ring broad-spectrum antibiotic RQX PHARMACEUTICALS INC 2019-11-29 CN 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 SLC6A2 4847/4885SLC6A4 4755/4885KMT2A 3283/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC SLC6A2 4847/4885SLC6A4 4755/4885KMT2A 3283/4885

“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.