SCHEMBL3971989

SCHEMBL3971989

C=CCOc1cc(Oc2ccc(CNc3cccc([N+](=O)[O-])c3C)cc2)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
FFAR1 O14842 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR3C1 P04150 1/20 0.35

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
SCHEMBL3967905 0.89 ALDH1A1 (0.39) MAPTL3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL3965796 0.89 ALDH1A1 (0.39) MAPTL3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL3966907 0.89 ALDH1A1 (0.41) MAPTL3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL1161990 0.88 L3MBTL1 (0.44) MAPTL3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL3968361 0.88 ALDH1A1 (0.48) MAPTL3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL3964922 0.86 NR3C1 (0.47) MAPTL3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL3964927 0.86 NR3C1 (0.47) MAPTL3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL4237951 0.85 ALDH1A1 (0.51) MAPTL3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL3967036 0.84 ALDH1A1 (0.43) MAPTL3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL3963572 0.84 NPC1 (0.45) MAPTL3MBTL1ALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363876-B1 GLUCOCORTICOID RECEPTOR MODULATORS KAROBIO AB (SE) 2009-07-29 EP disclosed
EP-1363876-A1 GLUCOCORTICOID RECEPTOR MODULATORS Abbott Laboratories (US) 2003-11-26 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
WO-2002064550-A1 GLUCOCORTICOID RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2002-08-22 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-20020156311-A1 Glucocorticoid receptor modulators NR3C1, NR5A1, NR3C2 MAPT 4677/4885L3MBTL1 3445/4885TDP1 3952/4885

“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.