SCHEMBL20201233

SCHEMBL20201233

COc1ccc(-n2cccc2)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SCN2A Q99250 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 1/20 0.41
GAA P10253 1/20 0.39
PTPN1 P18031 1/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 3/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37

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
SCHEMBL13997433 0.81 HTR3E (0.51) KDM4ENPSR1SCN2ACYP1A2CYP2A6
SCHEMBL2303248 0.79 SCN2A (0.59) KDM4ENPSR1SCN2ACYP1A2CYP2A6
SCHEMBL29767252 0.79 SCN2A (0.59) KDM4ENPSR1SCN2ACYP1A2CYP2A6
SCHEMBL11039827 0.77 KDM4E (0.43) KDM4ENPSR1SCN2ACYP1A2CYP2A6
SCHEMBL30758087 0.76 ALDH1A1 (0.48) KDM4ENPSR1SCN2ACYP1A2CYP2A6
SCHEMBL28034018 0.75 ERN1 (0.53) KDM4ENPSR1SCN2ACYP1A2CYP2A6
SCHEMBL11830513 0.73 ALDH1A1 (0.64) GAALMNAMAPTHTTMAPK1
SCHEMBL4116813 0.72 HTT (0.38) KDM4EGAALMNAMAPTHTT
SCHEMBL31034794 0.72 L3MBTL1 (0.42) KDM4EGAAMAPTHTTL3MBTL1
SCHEMBL2091295 0.69 MGLL (0.53) CYP1A2MAPTCA1CA2CA7

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-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES UNIV NORTH CAROLINA CHAPEL HILL (US) 2023-06-01 US disclosed
US-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2018-05-31 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 (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-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 KDM4E 766/4885NPSR1 761/4885SCN2A 4716/4885
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 KDM4E 766/4885NPSR1 761/4885SCN2A 4716/4885

“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.