SCHEMBL5771514

SCHEMBL5771514

CCOC(=O)c1c(-c2ccc(Br)cc2F)noc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.53
PTGES O14684 1/20 0.48
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CACNA1F O60840 2/20 0.45
ABCB1 P08183 2/20 0.45
CACNA1D Q01668 2/20 0.45
CACNA1S Q13698 2/20 0.45
CACNA1C Q13936 2/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 4/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
TP53 P04637 2/20 0.43
POLB P06746 2/20 0.43
TSHR P16473 3/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL2930347 0.88 MAPT (0.53) MAPTSMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL2930268 0.88 L3MBTL1 (0.51) MAPTSMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL2924001 0.86 MAPT (0.51) MAPTNPC1HPGDALDH1A1TP53
SCHEMBL5796651 0.86 NPC1 (0.45) MAPTSMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL15897845 0.84 NPC1 (0.43) MAPTSMN1; SMN2CACNA1FCACNA1DCACNA1S
SCHEMBL5772816 0.84 MAPT (0.45) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL1930932 0.83 NPC1 (0.48) MAPTSMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL2924198 0.83 GPBAR1 (0.58) ALOX5MAPTSMN1; SMN2NPC1HPGD
SCHEMBL2922653 0.81 NPC1 (0.49) MAPTSMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL13674 0.80 CACNA1F (0.62) MAPTSMN1; SMN2CACNA1FABCB1CACNA1D

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 ALOX5 3571/4885PTGES 2488/4885MAPT 4342/4885

“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.