SCHEMBL23909108

SCHEMBL23909108

O=C1OC(Br)c2cc(F)ccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.40
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL29504725 1.00 MAOB (0.40) MAOBCA1CA2CA7CA9
SCHEMBL25314868 0.85 MAOB (0.36) MAOBCA1CA2CA7CA9
SCHEMBL86917 0.79 S100A4 (0.42) CA1CA2CA7CA9ALDH1A1
SCHEMBL20354665 0.78 MAOB (0.40) MAOB
SCHEMBL3762755 0.78 MAOB (0.40) MAOBCA1CA2CA7CA9
SCHEMBL29531995 0.78 MAOB (0.40) MAOBCA1CA2CA7CA9
SCHEMBL18705360 0.78 ELANE (0.41) MAOBCA1CA2CA7CA9
SCHEMBL24223347 0.78 MAOB (0.40) MAOB
SCHEMBL19333344 0.78 MAOB (0.40) MAOB
SCHEMBL30286685 0.78 MAOB (0.40) MAOBCA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114276319-A Synthetic method of Laolatinib intermediate 滁州学院 2022-04-05 CN claimed
CN-114276319-B Synthesis method of loratidine intermediate 滁州学院 2023-11-03 CN disclosed
CN-114276319-B Synthesis method of loratidine intermediate 滁州学院 2023-11-03 CN disclosed
US-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 US disclosed
CN-115485271-A Novel compounds as inhibitors of poly (ADP-ribose) polymerase (PARP) 理森制药股份公司 2022-12-16 CN disclosed
CN-114276319-A Synthetic method of Laolatinib intermediate 滁州学院 2022-04-05 CN disclosed
CN-114276319-A Synthetic method of Laolatinib intermediate 滁州学院 2022-04-05 CN disclosed
CN-109134410-B Synthesis method of 5-fluoro-3-methylisobenzofuran-1 (3H) -ketone 沈阳药科大学 2022-03-25 CN disclosed
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
CN-110869359-A Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis 加拉帕戈斯股份有限公司 2020-03-06 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-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 MAOB 1128/4885CA1 3039/4885CA2 3936/4885
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 MAOB 1746/4885CA1 4775/4885CA2 3170/4885

“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.