SCHEMBL2706758

SCHEMBL2706758

COc1cc(Sc2ccc(C#N)cc2)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.54
MAOB P27338 6/20 0.54
AR P10275 10/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MCL1 Q07820 1/20 0.39
DYRK1A Q13627 1/20 0.37
SLC6A4 P31645 1/20 0.36

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
SCHEMBL524184 0.81 AR (0.51) ARMEN1KMT2AALDH1A1GAA
SCHEMBL8568346 0.74 MAOB (0.65) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL2707655 0.74 CA1 (0.47) ALDH1A1MAPT
SCHEMBL920849 0.73 MAOA (0.58) MAOAMAOBAR
SCHEMBL3394075 0.73 MAOB (0.81) MAOAMAOBALDH1A1
SCHEMBL8863839 0.72 GFER (0.48) KMT2AALDH1A1GAAMAPTDYRK1A
SCHEMBL5788515 0.72 MAOB (1.00) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL2731932 0.71 AR (0.66) MAOAMAOBARMEN1KMT2A
SCHEMBL11481188 0.71 AR (0.50) ARMEN1KMT2ADYRK1ASLC6A4
SCHEMBL524339 0.71 AR (0.58) ARMEN1KMT2AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435462-A1 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS Pfizer Limited (GB) 2012-04-04 EP disclosed
WO-2010136940-A1 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS PFIZER LIMITED (GB) 2010-12-02 WO disclosed
WO-2010136940-A1 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS PFIZER LIMITED (GB) 2010-12-02 WO disclosed
US-20100303758-A1 Novel Glucocorticoid Receptor Agonists GLOSSOP PAUL ALAN 2010-12-02 US disclosed
US-20100303758-A1 Novel Glucocorticoid Receptor Agonists GLOSSOP PAUL ALAN 2010-12-02 US disclosed
US-20100303758-A1 Novel Glucocorticoid Receptor Agonists GLOSSOP PAUL ALAN 2010-12-02 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-20100303758-A1 Novel Glucocorticoid Receptor Agonists NR3C1, NR3C2, MC2R MAOA 2370/4885MAOB 3226/4885AR 200/4885

“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.