SCHEMBL3965716

SCHEMBL3965716

C=CCOc1ccc(C#N)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAOB P27338 3/20 0.44
MAOA P21397 1/20 0.44
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
TRPV4 Q9HBA0 6/20 0.43
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA9 Q16790 4/20 0.40
PLA2G7 Q13093 1/20 0.38

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
SCHEMBL6932984 0.92 MAPT (0.43) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL28303519 0.87 PLA2G7 (0.46) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL11011101 0.84 CA12 (0.43) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL27957723 0.81 MAPT (0.50) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL7408997 0.81 MAPT (0.46) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL2476400 0.81 MRGPRX4 (0.47) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL10452462 0.81 CYP11B2 (0.48) CYP11B1CYP11B2
SCHEMBL19128162 0.80 TRPV4 (0.48) MAOBMAOACYP11B1CYP11B2TRPV4
SCHEMBL5314618 0.79 CYP11B1 (0.45) MAOBCYP11B1CYP11B2TRPV4PLA2G7
SCHEMBL7323185 0.78 CYP11B1 (0.65) MEN1MAPTKMT2AMAOBCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363876-B1 GLUCOCORTICOID RECEPTOR MODULATORS KAROBIO AB (SE) 2009-07-29 EP disclosed
US-6583180-B2 Antidiabetic agents ABBOTT LABORATORIES 2003-06-24 US disclosed
US-20020156311-A1 Glucocorticoid receptor modulators KARO BIO AB (SE) 2002-10-24 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-20020156311-A1 Glucocorticoid receptor modulators NR3C1, NR5A1, NR3C2 MEN1 2380/4885LMNA 4760/4885MAPT 4677/4885

“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.