SCHEMBL5776232

SCHEMBL5776232

CCCCCCc1onc(-c2c(F)cccc2F)c1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
POLB P06746 3/20 0.44
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
PLK1 P53350 1/20 0.39
GHSR Q92847 3/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 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
SCHEMBL5772850 0.93 ALDH1A1 (0.53) HPGDPOLBALDH1A1GAATP53
SCHEMBL5775933 0.87 PLK1 (0.46) POLBMAPTSMN1; SMN2PLK1GHSR
SCHEMBL5773584 0.80 SMN1; SMN2 (0.51) HPGDPOLBALDH1A1GAATP53
SCHEMBL5775105 0.78 ALDH1A1 (0.59) HPGDPOLBALDH1A1GAATP53
SCHEMBL28342751 0.76 PLK1 (0.49) ALDH1A1MAPTPLK1LMNAKMT2A
SCHEMBL9642139 0.75 HTT (0.41) ALDH1A1MAPTNPC1LMNAKDM4E
SCHEMBL22570976 0.71 NR1H4 (0.49) POLBALDH1A1GAA
SCHEMBL6691068 0.70 MAPT (0.61) HPGDPOLBALDH1A1GAATP53
SCHEMBL11893412 0.70 ALDH1A1 (0.72) HPGDPOLBALDH1A1GAATP53
SCHEMBL4332205 0.69 ALDH1A1 (0.43) HPGDPOLBALDH1A1GAAGHSR

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 HPGD 513/4885POLB 979/4885ALDH1A1 212/4885

“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.