SCHEMBL22609255

SCHEMBL22609255

O=[N+]([O-])c1ccc(Cc2ccc(OCCBr)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.56
POLB P06746 1/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
MAOB P27338 1/20 0.48
LTA4H P09960 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47

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
SCHEMBL2480658 0.92 KCNH2 (0.55) KCNH2MAPTALDH1A1DRD2DRD4
SCHEMBL378659 0.92 KCNH2 (0.55) KCNH2MAPTALDH1A1DRD2DRD4
SCHEMBL519168 0.83 DRD2 (0.58) KCNH2MAPTALDH1A1DRD2DRD4
SCHEMBL14150420 0.82 LTA4H (0.53) LTA4H
SCHEMBL31493409 0.82 ALDH1A1 (0.56) KCNH2POLBMAPTALDH1A1DRD2
SCHEMBL4937120 0.81 HRH3 (0.57) KCNH2MAPTALDH1A1DRD2DRD4
SCHEMBL6228523 0.80 MAPT (0.65) KCNH2POLBMAPTALDH1A1DRD2
SCHEMBL17971426 0.80 HRH3 (0.60) KCNH2MAPTDRD2DRD4DRD3
SCHEMBL28180977 0.80 HRH3 (0.60) KCNH2MAPTDRD2DRD4DRD3
SCHEMBL28180976 0.80 HRH3 (0.60) KCNH2MAPTDRD2DRD4DRD3

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-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF ORFAN BIOTECH SL (ES) 2021-06-10 US disclosed
EP-3731840-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF Orfan Biotech Inc. (US) 2020-11-04 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 (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-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF PNPO, XDH, GLS KCNH2 1883/4885POLB 1927/4885MAPT 2376/4885

“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.