SCHEMBL5776628

SCHEMBL5776628

CCOC(=O)C(C(=O)c1c(F)cccc1Cl)=C(C)NC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 3/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GPR35 Q9HC97 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 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
SCHEMBL5776625 1.00 GAA (0.42) GAAPOLBLMNAALDH1A1RAB9A
SCHEMBL29723948 0.83 ALDH1A1 (0.47) GAAPOLBLMNAALDH1A1RAB9A
SCHEMBL10441996 0.83 ALDH1A1 (0.47) GAAPOLBLMNAALDH1A1RAB9A
SCHEMBL6640647 0.80 ALDH1A1 (0.45) GAAPOLBLMNAALDH1A1RAB9A
SCHEMBL16563920 0.76 MEN1 (0.52) GAAPOLBLMNAALDH1A1RAB9A
SCHEMBL1671664 0.74 LMNA (0.58) GAAPOLBLMNAALDH1A1RAB9A
SCHEMBL23301982 0.73 ALDH1A1 (0.43) GAAPOLBLMNAALDH1A1RAB9A
SCHEMBL10442136 0.73 ALDH1A1 (0.43) GAAPOLBLMNAALDH1A1RAB9A
SCHEMBL23301981 0.73 ALDH1A1 (0.43) GAAPOLBLMNAALDH1A1RAB9A
SCHEMBL5528116 0.72 GPR35 (0.50) GAAPOLBLMNAALDH1A1TDP1

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 15 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-6686376-B2 INHIBITING A RESISTANT NEOPLASM, OR A NEOPLASM SUSCEPTIBLE TO RESISTANCE IN A MAMMAL WHICH COMPRISES ADMINISTERING COMPOUND OF INVENTION ELI LILLY AND COMPANY 2004-02-03 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-20030232854-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY 2003-12-18 US disclosed
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ELI LILLY AND COMPANY 2003-05-29 US disclosed
EP-1296953-A2 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2003-04-02 EP 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-2002000624-A2 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-01-03 WO 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 (4 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-20030232854-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ABCC1, ABCB11, ABCB1 GAA 819/4885POLB 2071/4885LMNA 2326/4885
US-20040176405-A1 Methods and compounds for inhibitting MRP1 ABCC1, ABCB11, ABCB1 GAA 763/4885POLB 2053/4885LMNA 2547/4885
US-20040077675-A1 Compounds and methods for inhibiting MRP1 ABCC1, ABCB1, ABCB11 GAA 1120/4885POLB 979/4885LMNA 2127/4885
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ABCC1, ABCB11, ABCB1 GAA 806/4885POLB 2045/4885LMNA 2226/4885

“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.