SCHEMBL2707482

SCHEMBL2707482

COc1ccc(CSc2ccc(C#N)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 1.00
MAOA P21397 6/20 1.00
APP P05067 1/20 0.64
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPSR1 Q6W5P4 3/20 0.50
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP2A6 P11509 1/20 0.47
DAO P14920 1/20 0.46
CYP19A1 P11511 1/20 0.45

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
SCHEMBL3228582 0.86 APP (0.82) MAOBMAOAAPPMEN1KMT2A
SCHEMBL22572556 0.81 MAOB (0.70) MAOBMAOANPSR1ALDH1A1POLB
SCHEMBL28514498 0.81 MAOB (0.70) MAOBMAOANPSR1ALDH1A1POLB
SCHEMBL19059386 0.81 APP (0.74) MAOBMAOAAPPKMT2AALDH1A1
SCHEMBL11044221 0.81 APP (0.74) MAOBMAOAAPPKMT2AALDH1A1
SCHEMBL25245698 0.80 MAOB (0.66) MAOBMAOAAPPMEN1KMT2A
SCHEMBL28526426 0.80 APP (0.72) MAOBMAOAAPPALDH1A1HTT
SCHEMBL7316077 0.79 MAOB (0.65) MAOBMAOAPOLBCYP2A6CYP19A1
SCHEMBL20053881 0.79 MAOB (0.65) MAOBMAOAPOLBCYP2A6CYP19A1
SCHEMBL8568346 0.79 MAOB (0.65) MAOBMAOAAPPMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102448978-A Novel Glucocorticoid Receptor Agonists PFIZER LTD 2012-05-09 CN disclosed
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 MAOB 3226/4885MAOA 2370/4885APP 2500/4885

“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.