SCHEMBL7870508

SCHEMBL7870508

CCOC(=O)CNC(=O)CCCBr

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.77
RECQL P46063 1/20 0.53
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
TRPA1 O75762 1/20 0.45
SMYD3 Q9H7B4 1/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 1/20 0.44
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
FAAH O00519 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
CNR2 P34972 1/20 0.41
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL12319369 0.82 GAA (0.89) GAARECQLFAAHKMT2AMEN1
SCHEMBL17510903 0.82 GAA (0.89) GAARECQLFAAHKMT2AMEN1
SCHEMBL12960566 0.82 GAA (0.89) GAARECQLFAAHKMT2AMEN1
SCHEMBL3182771 0.82 GAA (0.89) GAARECQLFAAHKMT2AMEN1
SCHEMBL1496151 0.81 GAA (0.63) GAARECQLALDH1A1TSHRTRPA1
SCHEMBL1892367 0.81 GAA (0.75) GAARECQLALDH1A1TSHRTRPA1
SCHEMBL13052578 0.81 GAA (0.80) GAARECQLALDH1A1TSHRSMYD3
SCHEMBL8116488 0.80 CYP1A2 (0.64) GAAALDH1A1TSHRTRPA1SMYD3
SCHEMBL85568 0.80
SCHEMBL25379842 0.79 GAA (0.72) GAARECQLALDH1A1TSHRTRPA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247420-B2 Compositions, synthesis, and methods of using quinolinone based atypical antipsychotic agents REVIVA PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
US-8247420-B2 Compositions, synthesis, and methods of using quinolinone based atypical antipsychotic agents REVIVA PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
WO-2008144764-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING QUINOLINONE BASED ATYPICAL ANTIPSYCHOTIC AGENTS REVIVA PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
US-20080293736-A1 Compositions, Synthesis, and Methods of Using Quinolinone Based Atypical Antipsychotic Agents REVIVA PHARMACEUTICALS, INC. (US) 2008-11-27 US disclosed
US-20080293736-A1 Compositions, Synthesis, and Methods of Using Quinolinone Based Atypical Antipsychotic Agents REVIVA PHARMACEUTICALS, INC. (US) 2008-11-27 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-20080293736-A1 Compositions, Synthesis, and Methods of Using Quinolinone Based Atypical Antipsychotic Agents GRIN2D, GRIN2C, AP3D1 GAA 2546/4885RECQL 1641/4885ALDH1A1 2027/4885

“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.