SCHEMBL8809905

SCHEMBL8809905

COc1cc(C)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 4/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
BLM P54132 1/20 0.44
S1PR4 O95977 2/20 0.42
MEN1 O00255 1/20 0.41
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
PKM P14618 1/20 0.39
MPI P34949 1/20 0.39
AGTR1 P30556 1/20 0.39
POLB P06746 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL2242731 0.85 KDM4E (0.45) KMT2ATDP1MAPTKDM4EBLM
SCHEMBL29998210 0.85 KDM4E (0.45) KMT2ATDP1MAPTKDM4EBLM
SCHEMBL8808836 0.81 LMNA (0.46) LMNAKMT2ATDP1MAPTKDM4E
SCHEMBL5845662 0.80 CYP19A1 (0.44)
SCHEMBL31128153 0.80 LMNA (0.45) LMNAKMT2ATDP1MAPTKDM4E
SCHEMBL31128150 0.80 LMNA (0.45) LMNAKMT2ATDP1MAPTKDM4E
SCHEMBL563664 0.79 ALDH1A1 (0.50) LMNAKMT2ATDP1MAPTS1PR4
SCHEMBL29779688 0.79 ALDH1A1 (0.47) LMNAKMT2ATDP1MAPTHTT
SCHEMBL1625178 0.79 ALDH1A1 (0.47) LMNAKMT2ATDP1MAPTHTT
SCHEMBL29672031 0.79 ALDH1A1 (0.50) LMNAKMT2ATDP1MAPTS1PR4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4748839-A1 POLYCYCLIC COMPOUND AND USE THEREOF CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2026-05-27 EP disclosed
US-12539294-B2 Combination of an azetidine LPA1 receptor antagonist with pirfenidone and/or nintedanib for use in the treatment of fibrotic diseases IDORSIA PHARMACEUTICALS LTD (CH) 2026-02-03 US disclosed
WO-2025021048-A1 POLYCYCLIC COMPOUND AND USE THEREOF 石药集团中奇制药技术(石家庄)有限公司 2025-01-30 WO disclosed
CN-119330949-A Polycyclic compound and application thereof 石药集团中奇制药技术(石家庄)有限公司 2025-01-21 CN disclosed
CN-117024404-A Benzopyridine derivatives and uses thereof 四川汇宇制药股份有限公司 2023-11-10 CN disclosed
US-20230000846-A1 COMBINATION OF AN AZETIDINE LPA1 RECEPTOR ANTAGONIST WITH PIRFENIDONE AND/OR NINTEDANIB FOR USE IN THE TREATMENT OF FIBROTIC DISEASES IDORSIA PHARMACEUTICALS LTD (CH) 2023-01-05 US disclosed
EP-4069227-A1 COMBINATION OF AN AZETIDINE LPA1 RECEPTOR ANTAGONIST WITH PIRFENIDONE AND/OR NINTEDANIB FOR USE IN THE TREATMENT OF FIBROTIC DISEASES Idorsia Pharmaceuticals Ltd (CH) 2022-10-12 EP disclosed
CN-114761001-A Combination of azetidine LPA1 receptor antagonists with anti-fibrotic agents 爱杜西亚药品有限公司 2022-07-15 CN disclosed
WO-2021110805-A1 COMBINATION OF AN AZETIDINE LPA1 RECEPTOR ANTAGONIST WITH PIRFENIDONE AND/OR NINTEDANIB FOR USE IN THE TREATMENT OF FIBROTIC DISEASES IDORSIA PHARMACEUTICALS LTD (CH) 2021-06-10 WO disclosed
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP 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-12539294-B2 Combination of an azetidine LPA1 receptor antagonist with pirfenidone and/or nintedanib for use in the treatment of fibrotic diseases LPAR2, LPAR1, LPAR3 LMNA 904/4885KMT2A 1246/4885TDP1 2538/4885
US-20230000846-A1 COMBINATION OF AN AZETIDINE LPA1 RECEPTOR ANTAGONIST WITH PIRFENIDONE AND/OR NINTEDANIB FOR USE IN THE TREATMENT OF FIBROTIC DISEASES LPAR1, LPAR2, LPAR3 LMNA 794/4885KMT2A 2541/4885TDP1 2674/4885

“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.