SCHEMBL2393588

SCHEMBL2393588

COC(=O)c1cc([N+](=O)[O-])ccc1-c1ccccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.56
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
MAPT P10636 3/20 0.55
ALDH1A1 P00352 2/20 0.53
CYP11B1 P15538 2/20 0.52
CYP11B2 P19099 2/20 0.52
LMNA P02545 2/20 0.51
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
PPIA P62937 3/20 0.50
PTGER1 P34995 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PPIF P30405 1/20 0.47

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
SCHEMBL15942070 0.87 CYP19A1 (0.65) CYP19A1MEN1KMT2AMAPTALDH1A1
SCHEMBL6567396 0.87 MEN1 (0.64) CYP19A1MEN1KMT2AMAPTALDH1A1
SCHEMBL7663256 0.85 RAB9A (0.54) CYP19A1MEN1KMT2AMAPTALDH1A1
SCHEMBL12114840 0.85 RORC (0.54) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7900646 0.81 MAOB (0.55) CYP19A1MEN1KMT2AMAPTALDH1A1
SCHEMBL9068677 0.80 ALDH1A1 (0.54) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL13011586 0.80 KMT2A (0.54) CYP19A1MEN1KMT2AMAPTLMNA
SCHEMBL14744562 0.80 AKR1C3 (0.44) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL20695012 0.80 RAB9A (0.60) CYP19A1MEN1KMT2AMAPTALDH1A1
SCHEMBL27946684 0.79 CYP19A1 (0.58) CYP19A1MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1944290-B1 NOVEL 1-2-DIHYDROQUINOLINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2013-12-04 EP disclosed
US-8420635-B2 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-04-16 US disclosed
US-8420635-B2 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-04-16 US disclosed
US-8420635-B2 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-04-16 US disclosed
CN-102311385-A Novel 1-2-dihydroquinoline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO LTD 2012-01-11 CN disclosed
CN-102304124-A Novel 1-2-dihydroquinoline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO LTD 2012-01-04 CN disclosed
CN-102229562-A Novel 1-2-dihydroquinoline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO LTD 2011-11-02 CN disclosed
US-20110263589-A1 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-10-27 US disclosed
US-20110263589-A1 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-10-27 US disclosed
US-20110263589-A1 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-10-27 US disclosed
US-8017775-B2 1-2-dihydroquinoline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-13 US disclosed
US-8017775-B2 1-2-dihydroquinoline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-13 US disclosed
US-8017775-B2 1-2-dihydroquinoline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-13 US disclosed
US-20090326009-A1 Novel 1-2-Dihydroquinoline Derivative Having Glucocorticoid Receptor Binding Activity Santen Pharmaceutical Co., (JP) 2009-12-31 US disclosed
US-20090326009-A1 Novel 1-2-Dihydroquinoline Derivative Having Glucocorticoid Receptor Binding Activity Santen Pharmaceutical Co., (JP) 2009-12-31 US disclosed
US-20090326009-A1 Novel 1-2-Dihydroquinoline Derivative Having Glucocorticoid Receptor Binding Activity Santen Pharmaceutical Co., (JP) 2009-12-31 US disclosed
CN-101263119-A Novel 1, 2-dihydroquinoline derivatives having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO LTD (JP) 2008-09-10 CN disclosed
EP-1944290-A1 NOVEL 1-2-DIHYDROQUINOLINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-07-16 EP disclosed
EP-1944290-A1 NOVEL 1-2-DIHYDROQUINOLINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-07-16 EP 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 (2 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-20090326009-A1 Novel 1-2-Dihydroquinoline Derivative Having Glucocorticoid Receptor Binding Activity NR3C1, NR3C2, NR5A1 CYP19A1 690/4885MEN1 3827/4885KMT2A 3137/4885
US-20110263589-A1 Method for preventing or treating a glucocorticoid receptor-related disease NR3C1, NR3C2, NR5A1 CYP19A1 565/4885MEN1 1768/4885KMT2A 3674/4885

“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.