SCHEMBL1629463

SCHEMBL1629463

N#Cc1ccc(-c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 3/20 0.49
CDK5 Q00535 2/20 0.49
CDK5R1 Q15078 2/20 0.49
PKM P14618 1/20 0.46
PKLR P30613 1/20 0.46
ELANE P08246 1/20 0.45
PTPRA P18433 1/20 0.42
DAO P14920 1/20 0.41
DYRK1A Q13627 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
VCAM1 P19320 2/20 0.41
TDO2 P48775 2/20 0.40
CYP2C19 P33261 1/20 0.40
PARP1 P09874 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
CYP3A4 P08684 1/20 0.38
NAMPT P43490 1/20 0.38
XDH P47989 1/20 0.38
RAD51 Q06609 1/20 0.38
KDM1A O60341 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
SCHEMBL30593644 0.86 CLK1 (0.47) CLK1CDK5CDK5R1PKMPKLR
SCHEMBL19586298 0.86 CLK1 (0.47) CLK1CDK5CDK5R1PKMPKLR
SCHEMBL15712649 0.82 ELANE (0.62) CLK1CDK5CDK5R1PKMPKLR
SCHEMBL1629390 0.82 CLK1 (0.45) CLK1CDK5CDK5R1PKMPKLR
SCHEMBL28902311 0.78 PKM (0.57) CLK1PKMPKLRPTPRADAO
SCHEMBL396951 0.77 PKM (0.52) CLK1CDK5CDK5R1PKMPKLR
SCHEMBL1664201 0.77 IMPDH2 (0.58) CLK1CDK5CDK5R1PKMPKLR
SCHEMBL20837883 0.76 HTR6 (0.44) CLK1CDK5CDK5R1ELANEABCG2
Potassium Ion SCHEMBL28059169 0.75 IMPDH2 (0.56) CLK1CDK5CDK5R1PKMPKLR
SCHEMBL5255650 0.74 PKM (0.49) CLK1CDK5CDK5R1PKMPKLR

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 8 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
CN-101374808-B Indole sulfonamide modulators of progesterone receptors LILLY CO ELI 2011-05-25 CN 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
CN-101374808-A Indole sulfonamide modulators of progesterone receptors LILLY CO ELI (US) 2009-02-25 CN 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 CLK1 4642/4885CDK5 438/4885CDK5R1 110/4885

“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.