SCHEMBL3968423

SCHEMBL3968423

Cc1c(NCc2ccc(Oc3cccc(O)c3)cc2)cccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3959791 0.89 MAPT (0.53) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL3970673 0.85 NR3C1 (0.50) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL3970667 0.85 NR3C1 (0.50) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL3970361 0.84 MAPT (0.48) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL7178613 0.83 MAPT (0.47) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL1161990 0.83 L3MBTL1 (0.44) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL3967926 0.82 ALDH1A1 (0.56) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL3968899 0.81 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL7675964 0.80 MAPT (0.43) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL3968361 0.80 ALDH1A1 (0.48) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4

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 ALDH1A1 1310/4885MAPT 4677/4885L3MBTL1 3445/4885

“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.