SCHEMBL2775697

SCHEMBL2775697

O=CN(CC(=O)O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 2/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SLC6A9 P48067 1/20 0.36
BCL2A1 Q16548 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
PTGIR P43119 1/20 0.35
PTGDR Q13258 1/20 0.35
BCL2L1 Q07817 1/20 0.35
BAD Q92934 1/20 0.35

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
SCHEMBL26117099 0.90 SMN1; SMN2 (0.44)
SCHEMBL6904231 0.82 CA2 (0.42) CA12CA1CA2CA9
SCHEMBL698988 0.82 ALDH1A1 (0.45)
SCHEMBL4142849 0.78 TDP1 (0.42) PTGDR2KEAP1NFE2L2CES2CES1
SCHEMBL6738381 0.76 KEAP1 (0.46) KEAP1NFE2L2PTGIR
SCHEMBL9463877 0.76 MAPT (0.51)
SCHEMBL22468266 0.75 SMN1; SMN2 (0.57)
SCHEMBL9779961 0.74 KEAP1 (0.40) PTGDR2KEAP1NFE2L2CES2CES1
SCHEMBL14364107 0.74 SLC6A9 (0.40) KEAP1NFE2L2CA12CA1CA2
SCHEMBL2085586 0.74 CNR2 (0.47) CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435433-B1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES AS FSH RECEPTOR AGONISTS FOR THE TREATMENT OF FERTILITY DISORDERS MERCK SHARP & DOHME (NL) 2013-08-28 EP disclosed
US-8071587-B2 (Dihydro)imidazoiso[5,1-A]quinolines N. V. ORGANON (NL) 2011-12-06 US disclosed
US-20100324021-A1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES N.V. ORGANON (NL) 2010-12-23 US disclosed
WO-2010136438-A1 (DIHYDRO) IMIDAZOISO (5, 1-A) QUINOLINES AS FSH RECEPTOR AGONISTS FOR THE TREATMENT OF FERTILITY DISORDERS N.V. ORGANON (NL) 2010-12-02 WO 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-20100324021-A1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES NQO2, IPO5, SCN5A PTGDR2 4124/4885KEAP1 1671/4885NFE2L2 2679/4885

“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.