SCHEMBL25834314

SCHEMBL25834314

O=C1C=CC(=O)C(c2cccc(Br)c2)=C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.66
MAOA P21397 1/20 0.66
HSD17B3 P37058 1/20 0.61
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
MCL1 Q07820 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SETD7 Q8WTS6 2/20 0.42
BACE1 P56817 1/20 0.39
PTPN11 Q06124 1/20 0.39
MGLL Q99685 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 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
SCHEMBL26262 0.80 MAOA (1.00) MAOBMAOAHSD17B3KDM4EMEN1
SCHEMBL28028117 0.79 HSD17B3 (0.75) MAOBMAOAHSD17B3KDM4EMEN1
SCHEMBL28119480 0.78 MAOA (0.95) MAOBMAOAHSD17B3KDM4EMEN1
Bromide SCHEMBL27550712 0.78 MAOA (0.95) MAOBMAOAHSD17B3KDM4EMEN1
SCHEMBL11329163 0.78 MAOA (0.95) MAOBMAOAHSD17B3KDM4EMEN1
SCHEMBL25834302 0.78 HSD17B3 (0.67) MAOBMAOAHSD17B3KDM4EMEN1
SCHEMBL3767108 0.78 MAOA (0.60) MAOBMAOAHSD17B3KDM4EMEN1
SCHEMBL25834318 0.78 MAOB (0.60) MAOBMAOAHSD17B3KDM4EMEN1
SCHEMBL27169536 0.77 HSD17B3 (0.78) MAOBMAOAHSD17B3KDM4EMEN1
SCHEMBL10959950 0.76 HSD17B3 (1.00) MAOBMAOAHSD17B3KDM4EMEN1

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-20230227393-A1 IRON CATALYZED HIGHLY ENANTIOSELECTIVE CIS-DIHYDROXYLATION OF QUINONES THE UNIVERSITY OF HONG KONG (CN) 2023-07-20 US disclosed
US-20230227393-A1 IRON CATALYZED HIGHLY ENANTIOSELECTIVE CIS-DIHYDROXYLATION OF QUINONES THE UNIVERSITY OF HONG KONG (CN) 2023-07-20 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-20230227393-A1 IRON CATALYZED HIGHLY ENANTIOSELECTIVE CIS-DIHYDROXYLATION OF QUINONES NFE2L2, DUOX1, DUOX2 MAOB 90/4885MAOA 44/4885HSD17B3 124/4885

“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.