SCHEMBL4970482

SCHEMBL4970482

COc1ncc(F)cc1-c1ccc([CH]C(N)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 2/20 0.45
GPBAR1 Q8TDU6 1/20 0.40
CTSA P10619 2/20 0.39
GRM7 Q14831 1/20 0.39
POLQ O75417 1/20 0.38
GRM2 Q14416 3/20 0.37
FFAR4 Q5NUL3 1/20 0.36
SCN9A Q15858 2/20 0.36
CHEK2 O96017 2/20 0.36
RELA Q04206 1/20 0.35
CHEK1 O14757 1/20 0.35
WDR5 P61964 1/20 0.35
KDM1A O60341 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34

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
SCHEMBL2004333 0.80 SYK (0.45) SQORGPBAR1CTSAGRM7POLQ
SCHEMBL4988927 0.77 DHODH (0.49) SQORFFAR4SCN9AKDM1AHDAC1
SCHEMBL4972288 0.77 ERN1 (0.51) FFAR4RELAKDM1AHDAC1HDAC6
SCHEMBL2005877 0.75 TAAR1 (0.41) SQORCTSAGRM7FFAR4
SCHEMBL2003302 0.74 CTSA (0.39) SQORGPBAR1CTSAGRM7POLQ
SCHEMBL2004849 0.74 CIT (0.41) SQORGPBAR1CTSAGRM7SCN9A
SCHEMBL5231977 0.72 FFAR4 (0.42) FFAR4
SCHEMBL16554351 0.71 CTSA (0.55) SQORCTSA
SCHEMBL16193947 0.71 SQOR (0.41) SQORGPBAR1CTSAGRM7POLQ
SCHEMBL16294143 0.70 SCN9A (0.43) GRM7SCN9A

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-1965785-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. Organon (NL) 2008-09-10 EP disclosed
WO-2007071638-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. ORGANON (NL) 2007-06-28 WO disclosed
US-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2007-06-28 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-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor NR3C1, NR3C2, MC2R SQOR 1228/4885GPBAR1 65/4885CTSA 3923/4885

“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.