SCHEMBL12705542

SCHEMBL12705542

BC(=O)N1C[C@H](NC(=O)C2CC2)C[C@H]1C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PIK3CD O00329 2/20 0.35
▸ GAA P10253 3/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3771260 0.84 ALDH1A1 (0.40) SMYD3ALDH1A1TSHRPOLBMEN1
SCHEMBL2159702 0.84 ALDH1A1 (0.40) SMYD3ALDH1A1TSHRPOLBMEN1
SCHEMBL3644549 0.84 ALDH1A1 (0.40) SMYD3ALDH1A1TSHRPOLBMEN1
SCHEMBL8274289 0.84 ALDH1A1 (0.40) SMYD3ALDH1A1TSHRPOLBMEN1
SCHEMBL12396230 0.84 ALDH1A1 (0.40) SMYD3ALDH1A1TSHRPOLBMEN1
SCHEMBL12396300 0.83 ALDH1A1 (0.40) SMYD3ALDH1A1HTTTSHRPOLB
SCHEMBL13920580 0.79 ALDH1A1 (0.37) SMYD3ALDH1A1HTTTSHRPOLB
SCHEMBL12705546 0.75 FKBP1A (0.36) ALDH1A1MAPTMEN1KMT2A
SCHEMBL12705544 0.75 ATM (0.41) ALDH1A1MAPTMEN1KMT2AMMP2
SCHEMBL13920516 0.75 ATM (0.41) ALDH1A1MAPTMEN1KMT2AMMP2

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 SMYD3 4015/4885ALDH1A1 940/4885HTT 2083/4885

“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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