SCHEMBL5776889

SCHEMBL5776889

COc1cc(NC(=O)Cc2cccc(NC(=O)c3c(-c4c(F)cccc4F)noc3C)c2)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.62
LMNA P02545 4/20 0.51
HTT P42858 3/20 0.51
HPGD P15428 2/20 0.51
GLA P06280 1/20 0.51
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
ABCB1 P08183 1/20 0.48
ABCC1 P33527 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
EPAS1 Q99814 1/20 0.47
MET P08581 2/20 0.46
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
TYMS P04818 1/20 0.45

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
SCHEMBL7226352 0.94 PTGS2 (0.58) PTGS2LMNAHTTHPGDGLA
SCHEMBL5773626 0.93 EPAS1 (0.58) PTGS2LMNAHTTHPGDGLA
SCHEMBL5778314 0.89 MAPT (0.59) PTGS2LMNAHTTSMN1; SMN2ABCB1
SCHEMBL5777335 0.88 PTGS2 (0.54) PTGS2LMNAHTTHPGDGLA
SCHEMBL5774938 0.88 PTGS2 (0.54) PTGS2LMNAHTTHPGDGLA
SCHEMBL5774722 0.85 PTGS2 (0.57) PTGS2LMNAHTTHPGDGLA
SCHEMBL5776665 0.83 PTGS2 (0.54) PTGS2LMNAHTTHPGDGLA
SCHEMBL5775020 0.80 PTGS2 (0.51) PTGS2LMNAHTTHPGDGLA
SCHEMBL5773731 0.79 PTGS2 (0.51) PTGS2LMNAHTTSMN1; SMN2ABCB1
SCHEMBL5770740 0.77 SMN1; SMN2 (0.48) PTGS2LMNAHTTSMN1; SMN2ABCB1

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-1224189-B1 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 LILLY CO ELI (US) 2006-01-25 EP disclosed
US-20040077675-A1 Compounds and methods for inhibiting MRP1 BONJOUKLIAN ROSANNE (US) 2004-04-22 US disclosed
US-6670373-B1 Inhibiting resistant neoplasms where the resistance is conferred by multidrug resistance protein; N-3,4,5-trimethoxyphenyl-3-(3-azidomethyl-isoxazolo(4,5-c) -1,2-dihydro-6-chloro-quinolin-2-on-1-yl)phenylacetamide ELI LILLY AND COMPANY 2003-12-30 US disclosed
EP-1224189-A2 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-07-24 EP disclosed
WO-2001027116-A2 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-04-19 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-20040077675-A1 Compounds and methods for inhibiting MRP1 ABCC1, ABCB1, ABCB11 PTGS2 1354/4885LMNA 2127/4885HTT 3901/4885

“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.