SCHEMBL4280123

SCHEMBL4280123

O=C(c1ccccc1)c1ccc2c(c1)nnn2-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.57
HPGD P15428 2/20 0.50
ALDH1A1 P00352 3/20 0.48
HCAR3 P49019 6/20 0.47
ATM Q13315 2/20 0.46
GLA P06280 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
DHODH Q02127 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
FGFR1 P11362 1/20 0.43
GRM1 Q13255 1/20 0.43
LMNA P02545 1/20 0.43
MGAM O43451 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
SCHEMBL27704159 0.97 KDM4E (0.60) L3MBTL1KDM4ENPC1HPGDALDH1A1
SCHEMBL4278340 0.91 KDM4E (0.48) L3MBTL1KDM4ENPC1HPGDALDH1A1
SCHEMBL2490016 0.88 HCAR3 (0.60) L3MBTL1KDM4ENPC1HPGDHCAR3
SCHEMBL5437652 0.77 HCAR3 (0.57) L3MBTL1KDM4ENPC1HPGDHCAR3
SCHEMBL12321787 0.74 KMT2A (0.56) NPC1HPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL4278983 0.73 FGFR1 (0.78) NPC1HPGDALDH1A1RAB9AFGFR1
SCHEMBL18167005 0.73 KDM4E (0.66) L3MBTL1KDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL19911581 0.73 NPC1 (1.00) L3MBTL1KDM4ENPC1ALDH1A1ATM
SCHEMBL27704161 0.73 KDM4E (0.60) L3MBTL1KDM4ENPC1HPGDALDH1A1
SCHEMBL20471746 0.73 KDM4E (0.60) L3MBTL1KDM4ENPC1HPGDALDH1A1

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 10 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
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 L3MBTL1 3685/4885KDM4E 4087/4885NPC1 1517/4885

“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.