SCHEMBL4281287

SCHEMBL4281287

O=C(c1ccccc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.79
L3MBTL1 Q9Y468 2/20 0.61
VCAM1 P19320 1/20 0.61
MAPK1 P28482 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
ALDH1A1 P00352 1/20 0.58
CASP7 P55210 1/20 0.58
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
MAPT P10636 4/20 0.57
HPGD P15428 2/20 0.57
POLB P06746 1/20 0.57
LMNA P02545 2/20 0.56
CDC25B P30305 1/20 0.56
AKR1C3 P42330 2/20 0.54
AKR1C2 P52895 2/20 0.54
GAA P10253 1/20 0.54
AR P10275 1/20 0.54
AKR1C4 P17516 1/20 0.54
AKR1C1 Q04828 1/20 0.54

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
SCHEMBL6657107 0.92 HCAR3 (0.67) HCAR3L3MBTL1VCAM1MAPK1KMT2A
SCHEMBL6655028 0.92 HCAR3 (0.84) HCAR3ALDH1A1KMT2AMEN1MAPT
SCHEMBL2338616 0.88 HCAR3 (1.00) HCAR3L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL28566156 0.87 CDC25B (0.77) HCAR3L3MBTL1KMT2AMEN1MAPT
SCHEMBL6653484 0.87 LMNA (0.65) HCAR3L3MBTL1MAPK1ALDH1A1KMT2A
SCHEMBL11341363 0.86 HCAR3 (0.79) HCAR3L3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL3914644 0.85 MAPK1 (0.71) HCAR3L3MBTL1VCAM1MAPK1TDP1
SCHEMBL28003102 0.84 HCAR3 (0.77) HCAR3L3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL11269607 0.84 CDC25B (0.78) HCAR3VCAM1MAPK1ALDH1A1MAPT
SCHEMBL9630291 0.84 MAPK1 (0.62) HCAR3VCAM1MAPK1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101193869-B Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMA 2011-03-02 CN disclosed
US-7622594-B2 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7622594-B2 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
CN-101193869-A Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMA (DE) 2008-06-04 CN disclosed
EP-1893588-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2008-03-05 EP disclosed
US-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
US-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
US-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
WO-2006135826-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-21 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-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, MC2R, NR3C2 HCAR3 106/4885L3MBTL1 3685/4885VCAM1 1303/4885

“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.