SCHEMBL1161990

SCHEMBL1161990

C=CCOc1cccc(Oc2ccc(CNc3cccc([N+](=O)[O-])c3C)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
FFAR1 O14842 1/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
CRHBP P24387 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 1/20 0.37
NR3C1 P04150 1/20 0.37

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
SCHEMBL3968361 0.94 ALDH1A1 (0.48) L3MBTL1ALDH1A1KDM4EFFAR1MAPT
SCHEMBL3967036 0.92 ALDH1A1 (0.43) L3MBTL1ALDH1A1KDM4EFFAR1MAPT
SCHEMBL3963572 0.92 NPC1 (0.45) L3MBTL1ALDH1A1KDM4EFFAR1MAPT
SCHEMBL4237951 0.91 ALDH1A1 (0.51) L3MBTL1ALDH1A1KDM4EFFAR1MAPT
SCHEMBL3966991 0.88 KDM4E (0.42) L3MBTL1ALDH1A1KDM4EFFAR1MAPT
SCHEMBL3965796 0.88 ALDH1A1 (0.39) L3MBTL1ALDH1A1KDM4EFFAR1MAPT
SCHEMBL3971989 0.88 MAPT (0.42) L3MBTL1ALDH1A1KDM4EFFAR1MAPT
SCHEMBL3966907 0.88 ALDH1A1 (0.41) L3MBTL1ALDH1A1KDM4EFFAR1MAPT
SCHEMBL3967905 0.88 ALDH1A1 (0.39) L3MBTL1ALDH1A1KDM4EFFAR1MAPT
SCHEMBL1161660 0.88 ALDH1A1 (0.43) L3MBTL1ALDH1A1KDM4EFFAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220590-A1 NOVEL COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTORS KAROBIOAB (SE) 2012-08-30 US disclosed
EP-2459524-A2 NOVEL COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTORS Cadila Healthcare Limited (IN) 2012-06-06 EP disclosed
WO-2011016050-A2 NOVEL COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTORS CADILA HEALTHCARE LIMITED (IN) 2011-02-10 WO disclosed
EP-1363876-B1 GLUCOCORTICOID RECEPTOR MODULATORS KAROBIO AB (SE) 2009-07-29 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

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-20020156311-A1 Glucocorticoid receptor modulators NR3C1, NR5A1, NR3C2 L3MBTL1 3445/4885ALDH1A1 1310/4885KDM4E 4102/4885
US-20120220590-A1 NOVEL COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTORS NR3C1, NR3C2, MC2R L3MBTL1 4855/4885ALDH1A1 2679/4885KDM4E 3542/4885

“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.