SCHEMBL13774686

SCHEMBL13774686

COc1ccc2c(=O)c(-c3ccc(Br)cc3)coc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.76
▸ MAPT P10636 9/20 0.76
▸ RAB9A P51151 8/20 0.76
▸ NPC1 O15118 6/20 0.76
▸ SMN1; SMN2 Q16637 6/20 0.76
▸ MEN1 O00255 5/20 0.76
▸ KMT2A Q03164 5/20 0.76
▸ ALDH1A1 P00352 4/20 0.76
▸ KDM4E B2RXH2 2/20 0.76
▸ TP53 P04637 2/20 0.76
▸ CYP3A4 P08684 2/20 0.76
▸ HPGD P15428 2/20 0.76
▸ MAOA P21397 3/20 0.68
▸ MAOB P27338 3/20 0.68
▸ HDAC6 Q9UBN7 2/20 0.68
▸ BCL2 P10415 1/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ CYP2C9 P11712 1/20 0.68
▸ CYP2C19 P33261 1/20 0.68
▸ IL2 P60568 1/20 0.68

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
SCHEMBL571576 0.92 XDH (0.84) XDHMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL8481488 0.89 PIN1 (0.73) XDHMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5814089 0.88 XDH (0.78) XDHMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL22340136 0.86 XDH (0.76) XDHMAPTRAB9ANPC1SMN1; SMN2
Isoformonentin SCHEMBL30105310 0.86 XDH (1.00) XDHMAPTRAB9ANPC1SMN1; SMN2
Isoformonentin SCHEMBL73338 0.86 XDH (1.00) XDHMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12289033 0.86 XDH (0.76) XDHMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL762092 0.86 MAPT (1.00) XDHMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL470779 0.85 STS (0.60) XDHMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL4434901 0.85 RAB9A (0.78) XDHMAPTRAB9ANPC1SMN1; SMN2

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-20090192152-A1 Novel Antigiardial Agents and Methods of Use Thereof UNIVERSITY OF MISSISSIPPI 2009-07-30 — — US disclosed
US-7468445-B2 Antigiardial agents and use thereof UNIVERSITY OF MISSISSIPPI (US) 2008-12-23 — — 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-20090192152-A1 Novel Antigiardial Agents and Methods of Use Thereof ENPP2, GPER1, ALPI XDH 2105/4885MAPT 4737/4885RAB9A 1314/4885

“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.

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