SCHEMBL1630952

SCHEMBL1630952

CC(C)C(C)n1cc(-c2ccc(C#N)cc2)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.50
NR3C1 P04150 7/20 0.50
NR3C2 P08235 7/20 0.50
AR P10275 6/20 0.47
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
ASH1L Q9NR48 1/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM1A O60341 3/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
CYP19A1 P11511 1/20 0.35
VCAM1 P19320 1/20 0.35
CYP1A2 P05177 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
SCHEMBL1630701 0.91 PGR (0.60) PGRNR3C1NR3C2ARMEN1
SCHEMBL1629735 0.80 PGR (0.41) PGRNR3C1NR3C2ARMEN1
SCHEMBL1629432 0.80 ASH1L (0.47) PGRNR3C1NR3C2ARMEN1
SCHEMBL1629260 0.78 NR3C1 (0.52) PGRNR3C1NR3C2ARMEN1
SCHEMBL4106338 0.77 KDM1A (0.40) PGRNR3C1NR3C2ARASH1L
SCHEMBL14471984 0.76 PGR (0.84) PGRNR3C1NR3C2AR
SCHEMBL14471985 0.76 PGR (0.84) PGRNR3C1NR3C2AR
SCHEMBL1630954 0.76 PGR (0.43) PGRNR3C1NR3C2ARMEN1
SCHEMBL14472021 0.76 PGR (0.84) PGRNR3C1NR3C2AR
SCHEMBL1630690 0.75 NR3C1 (0.43) PGRNR3C1NR3C2ARMEN1

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-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

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 PGR 1/4885NR3C1 63/4885NR3C2 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.