SCHEMBL5773731

SCHEMBL5773731

COc1cc(NC(=O)Cc2cccc(NC(=O)c3c(-c4cc(F)ccc4Cl)noc3Cl)c2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.51
SMN1; SMN2 Q16637 7/20 0.49
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
ABCB1 P08183 1/20 0.45
ABCC1 P33527 1/20 0.45
MAPT P10636 7/20 0.44
HTT P42858 4/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 2/20 0.43
AURKB Q96GD4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL5770740 0.87 SMN1; SMN2 (0.48) PTGS2SMN1; SMN2KMT2AMEN1ABCB1
SCHEMBL5778314 0.83 MAPT (0.59) PTGS2SMN1; SMN2ABCB1ABCC1MAPT
SCHEMBL7499779 0.83 SMN1; SMN2 (0.47) PTGS2SMN1; SMN2KMT2AMEN1ABCB1
SCHEMBL6696054 0.82 PTGS2 (0.45) PTGS2SMN1; SMN2KMT2AMEN1ABCB1
SCHEMBL5771902 0.81 SMN1; SMN2 (0.48) PTGS2SMN1; SMN2KMT2AMEN1ABCB1
SCHEMBL5773626 0.80 EPAS1 (0.58) PTGS2SMN1; SMN2ABCB1ABCC1MAPT
SCHEMBL5776889 0.79 PTGS2 (0.62) PTGS2SMN1; SMN2ABCB1ABCC1MAPT
SCHEMBL5774722 0.78 PTGS2 (0.57) PTGS2SMN1; SMN2KMT2AMEN1ABCB1
SCHEMBL5774938 0.78 PTGS2 (0.54) PTGS2SMN1; SMN2KMT2AMEN1ABCB1
SCHEMBL5777335 0.78 PTGS2 (0.54) PTGS2SMN1; SMN2KMT2AMEN1ABCB1

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 1354/4885SMN1; SMN2 4456/4885KMT2A 3995/4885

“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.