SCHEMBL25314868

SCHEMBL25314868

O=C1OC(Br)c2ccc(F)cc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.36
CYP19A1 P11511 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
ACHE P22303 1/20 0.35
FADS1 O60427 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL23909108 0.85 MAOB (0.40) MAOBCA1CA2CA7CA9
SCHEMBL29504725 0.85 MAOB (0.40) MAOBCA1CA2CA7CA9
SCHEMBL29440609 0.79 CYP1A2 (0.47) MAOBCYP19A1CA1CA2CA7
SCHEMBL17075818 0.79 CYP1A2 (0.47) MAOBCYP19A1CA1CA2CA7
SCHEMBL29440612 0.79 CYP1A2 (0.47) MAOBCYP19A1CA1CA2CA7
SCHEMBL21307523 0.78 CA1 (0.39) MAOBCYP19A1CA1CA2CA7
SCHEMBL9463700 0.78 ACHE (0.42) MAOBCYP19A1CA1CA2CA7
SCHEMBL17876983 0.78 ELANE (0.41) MAOBCYP19A1CA1CA2CA7
SCHEMBL2044047 0.78 MAOB (0.36) MAOBCYP19A1CA1CA2CA7
SCHEMBL9999041 0.77 MAPT (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 1128/4885CYP19A1 1601/4885CA1 3039/4885

“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.