SCHEMBL3970830

SCHEMBL3970830

COC(=O)c1ccc(CN(Cc2ccccc2)c2cccc([N+](=O)[O-])c2C)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.62
KMT2A Q03164 2/20 0.50
POLB P06746 4/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADORA3 P0DMS8 1/20 0.43

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
SCHEMBL3963496 0.95 NR3C1 (0.57) NR3C1KMT2APOLBMAPTMEN1
SCHEMBL3960771 0.86 KMT2A (0.53) NR3C1KMT2APOLBALDH1A1CYP1A2
SCHEMBL3969322 0.84 KMT2A (0.48) NR3C1KMT2APOLBALDH1A1CYP1A2
SCHEMBL3966943 0.83 KMT2A (0.50) NR3C1KMT2APOLBALDH1A1CYP1A2
SCHEMBL3970562 0.83 KMT2A (0.50) NR3C1KMT2APOLBALDH1A1CYP1A2
SCHEMBL29200760 0.81 MAPT (0.55) NR3C1KMT2APOLBALDH1A1MAPT
SCHEMBL3967546 0.81 NR3C1 (0.67) NR3C1LMNAMAPT
SCHEMBL3964519 0.81 NR3C1 (0.55) NR3C1KMT2APOLBLMNAMAPT
SCHEMBL3971896 0.80 NR3C1 (0.52) NR3C1KMT2AALDH1A1LMNAMEN1
SCHEMBL3965867 0.79 KMT2A (0.46) NR3C1KMT2APOLBALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363876-B1 GLUCOCORTICOID RECEPTOR MODULATORS KAROBIO AB (SE) 2009-07-29 EP disclosed
EP-1363876-A1 GLUCOCORTICOID RECEPTOR MODULATORS Abbott Laboratories (US) 2003-11-26 EP disclosed
US-6583180-B2 Antidiabetic agents ABBOTT LABORATORIES 2003-06-24 US disclosed
US-20020156311-A1 Glucocorticoid receptor modulators KARO BIO AB (SE) 2002-10-24 US disclosed
WO-2002064550-A1 GLUCOCORTICOID RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2002-08-22 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-20020156311-A1 Glucocorticoid receptor modulators NR3C1, NR5A1, NR3C2 NR3C1 1/4885KMT2A 4447/4885POLB 4279/4885

“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.