SCHEMBL1629642

SCHEMBL1629642

CC(C#N)n1cc(-c2ccc(C#N)c(F)c2)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.54
PGR P06401 6/20 0.54
NR3C2 P08235 6/20 0.54
AR P10275 5/20 0.54
SCN9A Q15858 2/20 0.40
CYP11B1 P15538 5/20 0.36
CYP11B2 P19099 5/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
VCAM1 P19320 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
ASH1L Q9NR48 1/20 0.34
SCN5A Q14524 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33

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
SCHEMBL1629260 0.82 NR3C1 (0.52) NR3C1PGRNR3C2ARMEN1
SCHEMBL1629597 0.78 PGR (0.85) NR3C1PGRNR3C2ARSCN9A
SCHEMBL1630765 0.76 HTR6 (0.44) NR3C1PGRNR3C2ARSCN9A
SCHEMBL1630701 0.76 PGR (0.60) NR3C1PGRNR3C2ARMEN1
SCHEMBL1631931 0.75 NR3C1 (0.42) NR3C1PGRNR3C2ARMEN1
SCHEMBL1630952 0.74 PGR (0.50) NR3C1PGRNR3C2ARMEN1
SCHEMBL1631975 0.73 PGR (0.66) NR3C1PGRNR3C2ARSCN9A
SCHEMBL28918792 0.72 MEN1 (0.47) NR3C1PGRNR3C2ARMEN1
SCHEMBL1630690 0.71 NR3C1 (0.43) NR3C1PGRNR3C2ARSCN9A
SCHEMBL1629390 0.71 CLK1 (0.45) CYP11B1CYP11B2VCAM1

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-1979314-B1 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS LILLY CO ELI (US) 2013-01-09 EP disclosed
US-7932284-B2 Indole sulfonamide modulators of progesterone receptors ELI LILLY AND COMPANY (US) 2011-04-26 US disclosed
US-20090069400-A1 Indole Sulfonamide Modulators of Progesterone Receptors ELI LILLY AND COMPANY 2009-03-12 US disclosed
EP-1979314-A2 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS Eli Lilly & Company (US) 2008-10-15 EP disclosed
WO-2007087488-A9 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS LILLY CO ELI (US) 2008-08-28 WO disclosed
WO-2007087488-A2 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-02 WO 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-20090069400-A1 Indole Sulfonamide Modulators of Progesterone Receptors PGR, NPSR1, PRLHR NR3C1 63/4885PGR 1/4885NR3C2 28/4885

“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.