SCHEMBL5778310

SCHEMBL5778310

COc1cc(N(C(=O)c2c(-c3ccc(F)cc3F)noc2C)c2cccc(NC(C)=O)c2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
PTGS2 P35354 2/20 0.43
GPBAR1 Q8TDU6 4/20 0.41
ALDH1A1 P00352 3/20 0.41
EPAS1 Q99814 2/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
GHSR Q92847 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
BRAF P15056 1/20 0.38
HTT P42858 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
SCHEMBL5777332 0.92 PTGS2 (0.42) POLBMAPTPTGS2GPBAR1ALDH1A1
SCHEMBL5776886 0.89 PTGS2 (0.49) POLBPTGS2GPBAR1ALDH1A1EPAS1
SCHEMBL5774936 0.88 PTGS2 (0.42) POLBMAPTPTGS2GPBAR1ALDH1A1
SCHEMBL7226348 0.86 PTGS2 (0.45) POLBPTGS2GPBAR1ALDH1A1EPAS1
SCHEMBL5773623 0.81 EPAS1 (0.58) POLBMAPTPTGS2ALDH1A1EPAS1
SCHEMBL6691783 0.80 PTGS2 (0.39) POLBMAPTPTGS2GPBAR1ALDH1A1
SCHEMBL5774719 0.76 PTGS2 (0.48) POLBMAPTPTGS2ALDH1A1ALOX12
SCHEMBL6696053 0.75 PTGS2 (0.35) POLBMAPTPTGS2GPBAR1ALDH1A1
SCHEMBL5778314 0.75 MAPT (0.59) POLBMAPTPTGS2EPAS1SMN1; SMN2
SCHEMBL5776661 0.74 PTGS2 (0.45) POLBMAPTPTGS2ALDH1A1SMN1; SMN2

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 POLB 979/4885MAPT 4342/4885PTGS2 1354/4885

“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.