SCHEMBL6089835

SCHEMBL6089835

CC(C)(c1ccc2ncccc2c1)c1c[nH]c2c([N+](=O)[O-])cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
POLB P06746 1/20 0.43
CLK1 P49759 2/20 0.43
DYRK1A Q13627 1/20 0.43
GSK3B P49841 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
PDE10A Q9Y233 1/20 0.39
MAPT P10636 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 2/20 0.38
TSHR P16473 2/20 0.38
DNA2 P51530 1/20 0.38
CASP6 P55212 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
MET P08581 1/20 0.38
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL6089518 0.79 NR3C1 (0.52) CLK1ALDH1A1METSMN1; SMN2HTT
SCHEMBL28338192 0.66 CLK1 (0.63) NCOA1NCOA3POLBCLK1DYRK1A
Quinoline SCHEMBL9110913 0.66 POLB (0.84) NCOA1NCOA3POLBPDE10AMAPT
SCHEMBL28341213 0.66 DNA2 (0.44) CLK1DYRK1AGSK3BCDK5CDK5R1
SCHEMBL6090466 0.65 DNA2 (0.42) CLK1DYRK1AGSK3BCDK5CDK5R1
SCHEMBL1330591 0.65 FGFR4 (0.43) PDE10AMAPTL3MBTL1ALDH1A1CYP1A2
SCHEMBL264293 0.64 ALDH1A1 (0.58) POLBDYRK1AMAPTALDH1A1TSHR
SCHEMBL10436624 0.64 TRPV1 (0.45) NCOA1NCOA3POLBPDE10AMAPT
SCHEMBL28312938 0.64 MAPT (0.57) CLK1DYRK1AGSK3BCDK5CDK5R1
SCHEMBL8001971 0.63 ALDH1A1 (0.58) NCOA1NCOA3POLBPDE10AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors ELI LILLY AND COMPANY (US) 2006-10-19 US disclosed
EP-1597254-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS Eli Lilly and Company (US) 2005-11-23 EP disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 WO disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 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-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors NR3C2, NR5A1, MC2R NCOA1 20/4885NCOA3 70/4885POLB 4849/4885

“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.