SCHEMBL22286235

SCHEMBL22286235

O=C(CBr)c1ccc(OCC2CC2)cc1F

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.64
PARP15 Q460N3 6/20 0.64
SCN9A Q15858 2/20 0.53
PARP2 Q9UGN5 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46
FFAR1 O14842 3/20 0.43
PPARD Q03181 3/20 0.43
LSS P48449 1/20 0.42
ACACB O00763 1/20 0.41
ABHD6 Q9BV23 1/20 0.40
ACACA Q13085 1/20 0.40

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
SCHEMBL927683 0.84 PARP10 (0.68) PARP10PARP15SCN9APARP2FFAR4
SCHEMBL1856415 0.81 PARP10 (0.64) PARP10PARP15SCN9APARP2FFAR4
SCHEMBL5057136 0.80 KDM4E (0.53) PARP10PARP15FFAR4FFAR1
SCHEMBL21123272 0.79 LSS (0.64) PARP10PARP15SCN9APARP2FFAR4
SCHEMBL927718 0.78 PARP10 (0.61) PARP10PARP15SCN9APARP2FFAR4
SCHEMBL5264249 0.77 MAOB (0.43) PARP10PARP15FFAR4FFAR1PPARD
SCHEMBL2100809 0.76 CPS1 (0.56)
SCHEMBL29859365 0.76 CPS1 (0.56)
SCHEMBL22286220 0.76 MAOB (0.44) PARP10PARP15LSS
SCHEMBL14901056 0.75 PARP10 (0.55) PARP10PARP15SCN9APARP2FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 US 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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 PARP10 885/4885PARP15 938/4885SCN9A 1917/4885

“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.