SCHEMBL1780352

SCHEMBL1780352

COc1cc(OC(=O)c2ccccc2F)ccc1-c1ccc2c(c1C(N)c1ccccc1OC)C(C)=CC(C)(C)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
LMNA P02545 5/20 0.41
NPSR1 Q6W5P4 4/20 0.41
HTT P42858 3/20 0.41
TP53 P04637 2/20 0.41
NR3C1 P04150 13/20 0.40
AR P10275 3/20 0.40
NR3C2 P08235 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PGR P06401 3/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL1780365 0.91 MAPT (0.41) MAPTLMNANPSR1HTTTP53
SCHEMBL1829316 0.90 MAPT (0.44) MAPTLMNANPSR1HTTTP53
SCHEMBL17667948 0.88 MAPT (0.44) MAPTLMNANPSR1HTTTP53
SCHEMBL17667946 0.86 MAPT (0.46) MAPTLMNANPSR1HTTTP53
SCHEMBL17667957 0.86 MAPT (0.45) MAPTLMNANPSR1HTTTP53
SCHEMBL1316150 0.86 MAPT (0.49) MAPTLMNANPSR1HTTTP53
SCHEMBL1315415 0.85 NR3C1 (0.42) MAPTLMNANPSR1HTTTP53
SCHEMBL1313918 0.84 MAPT (0.42) MAPTLMNANPSR1HTTTP53
SCHEMBL1314233 0.84 LMNA (0.62) MAPTLMNANPSR1HTTTP53
SCHEMBL1314927 0.83 MAPT (0.42) MAPTLMNANPSR1HTTTP53

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-2319835-A1 GLUCOCORTICOID RECEPTOR AGONIST COMPOSED OF 2,2,4-TRIMETHYL-6-PHENYL-1,2-DIHYDROQUINOLINE DERIVATIVE HAVING SUBSTITUTED OXY GROUP Santen Pharmaceutical Co., Ltd (JP) 2011-05-11 EP claimed
EP-2319835-B1 GLUCOCORTICOID RECEPTOR AGONIST COMPOSED OF 2,2,4-TRIMETHYL-6-PHENYL-1,2-DIHYDROQUINOLINE DERIVATIVE HAVING SUBSTITUTED OXY GROUP AYUMI PHARMACEUTICAL CORP (JP) 2016-04-13 EP disclosed
US-8426406-B2 Glucocorticoid receptor agonist comprising 2,2,4-trimethyl-6-phenyl-1,2-dihydroquinoline derivatives having substituted oxy group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-04-23 US disclosed
US-20110118260-A1 GLUCOCORTICOID RECEPTOR AGONIST COMPRISING 2,2,4-TRIMETHYL-6-PHENYL-1,2-DIHYDROQUINOLINE DERIVATIVES HAVING SUBSTITUTED OXY GROUP SANTEN PHARMACEUTICAL CO.,LTD. (JP) 2011-05-19 US disclosed
EP-2319835-A1 GLUCOCORTICOID RECEPTOR AGONIST COMPOSED OF 2,2,4-TRIMETHYL-6-PHENYL-1,2-DIHYDROQUINOLINE DERIVATIVE HAVING SUBSTITUTED OXY GROUP Santen Pharmaceutical Co., Ltd (JP) 2011-05-11 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 (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-20110118260-A1 GLUCOCORTICOID RECEPTOR AGONIST COMPRISING 2,2,4-TRIMETHYL-6-PHENYL-1,2-DIHYDROQUINOLINE DERIVATIVES HAVING SUBSTITUTED OXY GROUP NR3C1, NR3C2, MC2R MAPT 4602/4885LMNA 4205/4885NPSR1 177/4885

“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.