SCHEMBL5773584

SCHEMBL5773584

CCCCCCc1onc(-c2c(F)cccc2Cl)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 1/20 0.49
GHSR Q92847 2/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
ATM Q13315 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.47
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL5775933 0.92 PLK1 (0.46) SMN1; SMN2POLBGHSRNPC1MAPT
SCHEMBL5772850 0.89 ALDH1A1 (0.53) SMN1; SMN2POLBGHSRKMT2AATM
SCHEMBL6081703 0.82 GHSR (0.62) POLBGHSRKMT2AMEN1LMNA
SCHEMBL5776232 0.80 HPGD (0.44) SMN1; SMN2POLBGHSRKMT2AATM
SCHEMBL899628 0.79 LMNA (0.68) SMN1; SMN2POLBKMT2AMEN1ATM
SCHEMBL5774615 0.77 LMNA (0.59) SMN1; SMN2POLBKMT2AMEN1ATM
SCHEMBL4007719 0.77 GHSR (0.61) POLBGHSRKMT2AMEN1LMNA
SCHEMBL6642279 0.76 SMN1; SMN2 (0.56) SMN1; SMN2POLBKMT2AMEN1ATM
SCHEMBL6640020 0.76 SMN1; SMN2 (0.54) SMN1; SMN2POLBGHSRKMT2AMEN1
SCHEMBL6641249 0.76 SMN1; SMN2 (0.54) SMN1; SMN2POLBKMT2AMEN1ATM

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 SMN1; SMN2 4263/4885POLB 2053/4885GHSR 4614/4885
US-20040077675-A1 Compounds and methods for inhibiting MRP1 ABCC1, ABCB1, ABCB11 SMN1; SMN2 4456/4885POLB 979/4885GHSR 4725/4885
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ABCC1, ABCB11, ABCB1 SMN1; SMN2 4221/4885POLB 2045/4885GHSR 4618/4885

“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.