SCHEMBL29620834

SCHEMBL29620834

COc1ccc(C(=O)CBr)cc1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.65
LMNA P02545 1/20 0.65
MAPK1 P28482 1/20 0.65
RAB9A P51151 1/20 0.65
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
KMT2A Q03164 1/20 0.56
GSK3B P49841 2/20 0.54
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
PTPN1 P18031 1/20 0.50
HRH3 Q9Y5N1 2/20 0.49
ACHE P22303 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
ATM Q13315 1/20 0.47
HPGDS O60760 1/20 0.46
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL773681 1.00 HTT (0.65) HTTLMNAMAPK1RAB9AMAPT
SCHEMBL30483926 0.87 GSK3B (0.54) HTTLMNAMAPK1RAB9AMAPT
SCHEMBL2777226 0.87 GSK3B (0.54) HTTLMNAMAPK1RAB9AMAPT
SCHEMBL6331262 0.85 HTT (0.67) HTTLMNAMAPK1RAB9AMAPT
SCHEMBL2845183 0.85 HTT (0.67) HTTLMNAMAPK1RAB9AMAPT
SCHEMBL2848243 0.85 HTT (0.67) HTTLMNAMAPK1RAB9AMAPT
SCHEMBL29620831 0.84 TSHR (0.63) MAPK1MAPTMEN1ALDH1A1KMT2A
SCHEMBL426444 0.84 TSHR (0.63) MAPK1MAPTMEN1ALDH1A1KMT2A
SCHEMBL13003860 0.83 HTT (0.65) HTTLMNAMAPK1RAB9AMAPT
SCHEMBL7389336 0.83 HTT (0.56) HTTLMNAMAPK1RAB9AMAPT

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
EP-3704105-B9 ANTIBACTERIAL COMPOUNDS DISCUVA LTD (GB) 2025-03-05 EP disclosed
EP-3704105-B1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD (GB) 2024-10-16 EP disclosed
CN-116096717-A Imidazo [1,2-a ] pyridine and [1,2,4] triazolo [1,5-a ] pyridine derivatives as TLR9 inhibitors for the treatment of fibrosis 百时美施贵宝公司 2023-05-09 CN disclosed
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2022-11-24 US disclosed
US-11345694-B2 Antibacterial compounds DISCUVA LTD. (GB) 2022-05-31 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-11345694-B2 Antibacterial compounds CFTR, MRPL21, NQO1 HTT 3085/4885LMNA 3530/4885MAPK1 2901/4885
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NRDC, PGLS HTT 3431/4885LMNA 3660/4885MAPK1 3230/4885

“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.