SCHEMBL3757600

SCHEMBL3757600

CSc1cccc(Oc2ccc(C#N)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
CFTR P13569 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
AR P10275 4/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
IL18 Q14116 1/20 0.41
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 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
SCHEMBL920824 0.84 PDE4A (0.46) CYP19A1ARMEN1MAPTKMT2A
SCHEMBL2707459 0.83 PARP15 (0.49) CYP19A1PARP15PARP10PARP2AR
SCHEMBL10927383 0.82 CYP19A1 (0.59) CYP19A1PARP15PARP10PARP2AR
SCHEMBL28637158 0.82 CYP1A1 (0.42) MAOBMEN1MAPTKMT2ALMNA
SCHEMBL19490623 0.81 LTA4H (0.50) MAOBMEN1MAPTKMT2APOLB
SCHEMBL13047065 0.80 HTT (0.50) ARMEN1MAPTKMT2APOLB
SCHEMBL921433 0.78 AR (0.63) CYP19A1PARP15PARP10PARP2AR
SCHEMBL31070296 0.78 AR (0.63) CYP19A1PARP15PARP10PARP2AR
SCHEMBL922717 0.78 SMN1; SMN2 (0.61) CYP19A1ARMEN1MAPTKMT2A
SCHEMBL28770468 0.78 CYP19A1 (0.54) CYP19A1PARP15PARP10PARP2AR

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
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 CYP19A1 301/4885CFTR 262/4885PARP15 2254/4885

“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.