SCHEMBL17258302

SCHEMBL17258302

O=c1cc(-c2ccccc2Br)oc2cc(O)c(O)c(O)c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRS Q13332 6/20 0.66
KMT2A Q03164 6/20 0.66
MEN1 O00255 5/20 0.66
GABRP O00591 4/20 0.66
GABRD O14764 4/20 0.66
GABRA1 P14867 4/20 0.66
GABRB1 P18505 4/20 0.66
GABRG2 P18507 4/20 0.66
GABRB3 P28472 4/20 0.66
GABRA5 P31644 4/20 0.66
GABRA3 P34903 4/20 0.66
GABRA2 P47869 4/20 0.66
GABRB2 P47870 4/20 0.66
GABRA4 P48169 4/20 0.66
GABRE P78334 4/20 0.66
GABRA6 Q16445 4/20 0.66
GABRG1 Q8N1C3 4/20 0.66
GABRG3 Q99928 4/20 0.66
GABRQ Q9UN88 4/20 0.66
MAPT P10636 3/20 0.66

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
SCHEMBL5163483 0.87 KMT2A (0.71) PTPRSKMT2AMEN1GABRPGABRD
SCHEMBL17258310 0.85 CREB1 (0.70) PTPRSKMT2AMEN1GABRPGABRD
SCHEMBL2961755 0.80 PTPRS (0.61) PTPRSKMT2AMEN1GABRPGABRD
Baicalein SCHEMBL5695785 0.80 ABCB1 (1.00) PTPRSKMT2AMEN1GABRPGABRD
Baicalein SCHEMBL139617 0.80 ABCB1 (1.00) PTPRSKMT2AMEN1GABRPGABRD
Baicalein SCHEMBL29385549 0.80 ABCB1 (1.00) PTPRSKMT2AMEN1GABRPGABRD
SCHEMBL17258305 0.79 KDM4E (0.64) PTPRSMAPTABCB1CYP1A1CYP1B1
Baicalein SCHEMBL28372093 0.78 ABCB1 (0.97) PTPRSKMT2AMEN1GABRPGABRD
Baicalein SCHEMBL28826034 0.78 ABCB1 (0.97) PTPRSKMT2AMEN1GABRPGABRD
Baicalein SCHEMBL28198926 0.78 ABCB1 (0.97) PTPRSKMT2AMEN1GABRPGABRD

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-20150329515-A1 COMPOSITION AND METHOD FOR TREATING OR PREVENTING INFLUENZA VIRUS INFECTION NATIONAL DEFENSE MEDICAL CENTER (TW) 2015-11-19 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-20150329515-A1 COMPOSITION AND METHOD FOR TREATING OR PREVENTING INFLUENZA VIRUS INFECTION HAVCR2, IRF3, IDO1 PTPRS 1755/4885KMT2A 3342/4885MEN1 3326/4885

“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.