SCHEMBL4278340

SCHEMBL4278340

O=C(c1ccccc1)c1ccc2c(c1)nnn2-c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPK14 Q16539 1/20 0.47
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.46
MGAM O43451 1/20 0.45
AMY1A P0DUB6 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
HPGD P15428 2/20 0.43
RAB9A P51151 3/20 0.43
HCAR3 P49019 2/20 0.42
HSD11B1 P28845 1/20 0.42
SMO Q99835 1/20 0.42
KCNMA1 Q12791 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4280123 0.91 L3MBTL1 (0.57) KDM4ENPC1L3MBTL1MGAMAMY1A
SCHEMBL27704159 0.88 KDM4E (0.60) KDM4ENPC1L3MBTL1HPGDRAB9A
SCHEMBL2490016 0.79 HCAR3 (0.60) KDM4ENPC1L3MBTL1HPGDHCAR3
SCHEMBL19911612 0.77 NPC1 (0.66) KDM4ENPC1L3MBTL1RAB9AKCNMA1
SCHEMBL1362678 0.77 SMO (0.64) MAPK14SMO
SCHEMBL5437652 0.74 HCAR3 (0.57) KDM4ENPC1L3MBTL1HPGDHCAR3
SCHEMBL9525250 0.74 HCAR3 (0.68) MAPK14POLBMGAMAMY1AGAA
SCHEMBL17950520 0.72 ATM (0.75) NPC1L3MBTL1HPGDRAB9AALDH1A1
SCHEMBL12321787 0.72 KMT2A (0.56) NPC1MGAMAMY1AGAASI
SCHEMBL3016787 0.72 NPC1 (0.46) KDM4ENPC1L3MBTL1RAB9AKCNMA1

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

“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.