SCHEMBL5776021

SCHEMBL5776021

CCOC(=O)c1c(-c2c(F)cccc2I)noc1C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 2/20 0.53
TSHR P16473 2/20 0.53
MAPK1 P28482 1/20 0.53
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RECQL P46063 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 2/20 0.49
ESR1 P03372 1/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL6691068 0.91 MAPT (0.61) MAPTTP53HPGDTSHRMAPK1
SCHEMBL2775568 0.85 MAPT (0.74) MAPTTP53HPGDTSHRMAPK1
SCHEMBL5796644 0.84 MAPT (0.48) MAPTTP53HPGDTSHRMAPK1
SCHEMBL6639095 0.83 MAPT (0.54) MAPTTP53HPGDTSHRMAPK1
SCHEMBL5777172 0.83 KMT2A (0.49) MAPTHPGDTSHRNPC1ALDH1A1
SCHEMBL2923772 0.81 HPGD (0.54) MAPTTP53HPGDTSHRMAPK1
SCHEMBL2924198 0.81 GPBAR1 (0.58) MAPTTP53HPGDTSHRMAPK1
SCHEMBL6069272 0.79 NPC1 (0.55) MAPTTP53HPGDTSHRMAPK1
SCHEMBL16448979 0.78 TSHR (0.66) MAPTTP53HPGDTSHRMAPK1
SCHEMBL12830601 0.78 TSHR (0.44) MAPTHPGDTSHRMAPK1NPC1

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 11 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
EP-1250340-B1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 LILLY CO ELI (US) 2004-11-17 EP disclosed
US-20040176405-A1 Methods and compounds for inhibitting MRP1 KROIN JULIAN (US) 2004-09-09 US disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 US 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
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ELI LILLY AND COMPANY 2003-05-29 US disclosed
EP-1250340-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-10-23 EP disclosed
EP-1224189-A2 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-07-24 EP disclosed
WO-2001046199-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-06-28 WO 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 (3 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-20040176405-A1 Methods and compounds for inhibitting MRP1 ABCC1, ABCB11, ABCB1 MAPT 4012/4885TP53 2033/4885HPGD 578/4885
US-20040077675-A1 Compounds and methods for inhibiting MRP1 ABCC1, ABCB1, ABCB11 MAPT 4342/4885TP53 136/4885HPGD 513/4885
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ABCC1, ABCB11, ABCB1 MAPT 4262/4885TP53 1851/4885HPGD 557/4885

“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.