SCHEMBL12705546

SCHEMBL12705546

BC(=O)N1C[C@@H](Br)C[C@H]1C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 2/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CA1 P00915 4/20 0.33
▸ CA2 P00918 4/20 0.33
▸ CA12 O43570 3/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ CACNA1A O00555 1/20 0.33
▸ CACNA2D1 P54289 1/20 0.33
▸ CACNB1 Q02641 1/20 0.33

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
SCHEMBL13920516 0.84 ATM (0.41) FKBP1AKMT2AMEN1ALDH1A1MAPT
SCHEMBL12705544 0.84 ATM (0.41) FKBP1AKMT2AMEN1ALDH1A1MAPT
SCHEMBL12705543 0.83 ANPEP (0.50) FKBP1AKMT2AMEN1ALDH1A1MAPT
SCHEMBL9636968 0.79 FKBP1A (0.39) FKBP1AKMT2AMEN1ALDH1A1MAPT
SCHEMBL7728453 0.79 FKBP1A (0.39) FKBP1AKMT2AMEN1ALDH1A1MAPT
SCHEMBL7728457 0.79 FKBP1A (0.39) FKBP1AKMT2AMEN1ALDH1A1MAPT
SCHEMBL14278562 0.76 MMP2 (0.56) FKBP1AKMT2AMEN1
SCHEMBL12705542 0.75 SMYD3 (0.39) KMT2AMEN1ALDH1A1MAPT
SCHEMBL13920578 0.73 KMT2A (0.34) FKBP1AKMT2AMEN1ALDH1A1MAPT
SCHEMBL11195762 0.70 FKBP1A (0.42) FKBP1AKMT2AMEN1ALDH1A1MAPT

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-7919505-B2 Xinafoate salt of a substituted 5-oxazol-2-yl-quinoline compound SCHERING CORPORATION (US) 2011-04-05 — — US disclosed
US-20080027101-A1 XINAFOATE SALT OF A SUBSTITUTED 5-OXAZOL-2-YL-QUINOLINE COMPOUND SCHERING CORPORATION 2008-01-31 — — 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 (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-20080027101-A1 XINAFOATE SALT OF A SUBSTITUTED 5-OXAZOL-2-YL-QUINOLINE COMPOUND XDH, UPF1, NOX5 FKBP1A 2459/4885KMT2A 2590/4885MEN1 4654/4885

“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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