SCHEMBL23977243

SCHEMBL23977243

O=C1CCOc2c1ccc(Br)c2F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.40
MAOA P21397 1/20 0.40
GRM5 P41594 11/20 0.36
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL31015970 1.00 MAOB (0.40) MAOBMAOAGRM5LTB4RLTB4R2
SCHEMBL31474066 0.82 PSMB5 (0.49) NPC1RAB9ASMN1; SMN2PSMB5
SCHEMBL13506594 0.82 MAOB (0.42) MAOBMAOAGRM5LTB4RLTB4R2
SCHEMBL30329645 0.79 MAOB (0.40) MAOBMAOAGRM5LTB4RLTB4R2
SCHEMBL20554446 0.79 MAOB (0.47) MAOBMAOAGRM5LTB4RLTB4R2
SCHEMBL25166116 0.79 MAOB (0.40) MAOBMAOAGRM5LTB4RLTB4R2
SCHEMBL13506258 0.77 MAOB (0.38) MAOBMAOAGRM5LTB4RLTB4R2
SCHEMBL2370234 0.75 MAOB (0.39) MAOBMAOAGRM5LMNAMAPT
SCHEMBL31630067 0.74 PARP1 (0.37)
SCHEMBL5740876 0.74 KDM4E (0.41) MAOBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12466803-B2 BCKDK inhibitors and/or degraders PFIZER INC. (US) 2025-11-11 US disclosed
WO-2023100061-A1 3-PHENYL-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS BRANCHED-CHAIN ALPHA KETO ACID DEHYDROGENASE KINASE INHIBITORS FOR THE TREATMENT OF DIABETES, KIDNEY DISEASES, NASH AND HEART FAILURE PFIZER INC. (US) 2023-06-08 WO disclosed
US-20230167080-A1 BCKDK INHIBITORS AND/OR DEGRADERS PFIZER INC. (US) 2023-06-01 US disclosed
EP-4143187-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF HIF2-ALPHA AND THEIR METHODS OF USE Novartis AG (CH) 2023-03-08 EP disclosed
US-20220401422-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF HIF2-alpha AND THEIR METHODS OF USE NOVARTIS AG (CH) 2022-12-22 US disclosed
CN-115485275-A Compounds and compositions that inhibit HIF 2-alpha activity and methods of use thereof 诺华股份有限公司 2022-12-16 CN disclosed
WO-2021217508-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF HIF2α AND THEIR METHODS OF USE NOVARTIS AG (CH) 2021-11-04 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 (3 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-12466803-B2 BCKDK inhibitors and/or degraders BCKDK, KHK, PDK4 MAOB 2121/4885MAOA 2129/4885GRM5 3882/4885
US-20230167080-A1 BCKDK INHIBITORS AND/OR DEGRADERS BCKDK, KHK, PDK4 MAOB 2121/4885MAOA 2129/4885GRM5 3882/4885
US-20220401422-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF HIF2-alpha AND THEIR METHODS OF USE HIF1AN, HIF1A, EGLN2 MAOB 1081/4885MAOA 1877/4885GRM5 2909/4885

“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.