SCHEMBL433329

SCHEMBL433329

CNc1cc(Br)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.44
MAPT P10636 7/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 2/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 2/20 0.39
GALR2 O43603 1/20 0.39
LMNA P02545 1/20 0.39
EGFR P00533 1/20 0.38
CDC25B P30305 1/20 0.38
HIF1A Q16665 1/20 0.37
ALDH3A1 P30838 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
SCHEMBL29399114 1.00 HCAR3 (0.44) HCAR3MAPTPKMHTTATM
SCHEMBL27076021 0.93 HCAR3 (0.44) HCAR3MAPTPKMHTTATM
SCHEMBL6870232 0.85 HCAR3 (0.49) HCAR3MAPTHTTATMTDP1
SCHEMBL439713 0.83 MAPT (0.42) MAPTPKMATMTDP1MAPK1
SCHEMBL21522808 0.82 HCAR3 (0.48) HCAR3MAPTPKMATMTDP1
SCHEMBL30889005 0.82 HCAR3 (0.48) HCAR3MAPTPKMATMTDP1
SCHEMBL27038667 0.81 CYP1A2 (0.49) HCAR3MAPTHTTTDP1MAPK1
SCHEMBL31473667 0.81 CYP1A2 (0.49) HCAR3MAPTHTTTDP1MAPK1
SCHEMBL23418074 0.80 HCAR3 (0.47) HCAR3MAPTHTTATMTDP1
SCHEMBL22897870 0.79 MAPT (0.45) HCAR3MAPTPKMHTTATM

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976604-B1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2026-01-21 EP disclosed
US-12492188-B2 1H-benzo[D]imidazole derivatives as TLR9 inhibitors for the treatment of fibrosis BRISTOL-MYERS SQUIBB COMPANY (US) 2025-12-09 US disclosed
EP-4539840-A1 KINASE MODULATORS AND METHODS OF USE THEREOF Neuron23, Inc. (US) 2025-04-23 EP disclosed
CN-119730846-A Kinase modulators and methods of use thereof 神经元23公司 2025-03-28 CN disclosed
EP-4200292-B1 1H-BENZO[D]IMIDAZOLE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2024-11-13 EP disclosed
CN-113924296-B 1,3, 4-Oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions containing the same 株式会社 钟根堂 2024-09-17 CN disclosed
WO-2023244788-A9 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-09-12 WO disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 US disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 US disclosed
WO-2023244788-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2023-12-21 WO disclosed
CN-113924296-A 1,3, 4-oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same 株式会社钟根堂 2022-01-11 CN disclosed
WO-2020240492-A1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-12-03 WO disclosed
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
WO-2015102929-A1 TRICYCLIC SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2015-07-09 WO disclosed
US-20150183802-A1 TRICYCLIC SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2015-07-02 US disclosed
US-20130317057-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2013-11-28 US disclosed
EP-2595482-A1 ALDOSTERONE SYNTHASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-29 EP disclosed
WO-2012012478-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-26 WO 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 (4 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-12492188-B2 1H-benzo[D]imidazole derivatives as TLR9 inhibitors for the treatment of fibrosis TLR9, TLR1, TLR7 HCAR3 2625/4885MAPT 4616/4885PKM 1105/4885
US-20130317057-A1 ALDOSTERONE SYNTHASE INHIBITORS HSD11B1, CYP11B2, HSD11B2 HCAR3 2125/4885MAPT 2917/4885PKM 1782/4885
US-20150183802-A1 TRICYCLIC SULFONAMIDE DERIVATIVES SULT2A1, SULT1A1, STS HCAR3 1055/4885MAPT 2833/4885PKM 1025/4885
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, JAK1, JAK3 HCAR3 1693/4885MAPT 2656/4885PKM 620/4885

“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.