SCHEMBL5777789

SCHEMBL5777789

Cc1noc(-c2cc(F)ccc2Cl)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.42
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
P2RX7 Q99572 1/20 0.38
GAA P10253 1/20 0.38
NR1I2 O75469 1/20 0.38
GPBAR1 Q8TDU6 2/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SCD O00767 1/20 0.37
SCD5 Q86SK9 1/20 0.37
SMURF2 Q9HAU4 1/20 0.37
SMURF1 Q9HCE7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CLCN2 P51788 1/20 0.36
EIF4E P06730 1/20 0.36
DHODH Q02127 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL30395754 0.80 KMT2A (0.49) NPC1GAAGPBAR1MAPTL3MBTL1
SCHEMBL12543516 0.80 KMT2A (0.49) NPC1GAAGPBAR1MAPTL3MBTL1
SCHEMBL11373441 0.78 SMURF2 (0.46) NPC1RAB9AP2RX7GAATP53
SCHEMBL4332210 0.77 CYP1A2 (0.47) FTONPC1RAB9ACYP1A2CYP2C9
SCHEMBL2289885 0.76 SMURF2 (0.44) NPC1GAANR1I2MAPTSMURF2
SCHEMBL4339483 0.75 NR4A1 (0.44) FTOCYP1A2NR1I2GPBAR1MAPT
SCHEMBL5775889 0.73 FTO (0.49) FTOGAAGPBAR1TP53MAPT
SCHEMBL20659514 0.72 MAPT (0.43) CYP1A2CYP2C9P2RX7GAAMAPT
SCHEMBL12691873 0.71 NR1H4 (0.47) RAB9AGAANR1I2MAPTL3MBTL1
SCHEMBL4336589 0.71 MAPT (0.51) NPC1RAB9AGPBAR1MAPTL3MBTL1

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 FTO 4806/4885NPC1 17/4885RAB9A 1749/4885

“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.