SCHEMBL5772336

SCHEMBL5772336

COC(=O)c1ncoc1-c1c(F)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
GRM1 Q13255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
LMNA P02545 1/20 0.38
ALOX15 P16050 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
SCHEMBL23421579 0.79 KMT2A (0.52) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL627446 0.79 LMNA (0.44) POLBKDM4EALDH1A1GAAHPGD
SCHEMBL2819846 0.77 GSK3B (0.48) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL9587732 0.76 FBP1 (0.45) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL9585926 0.73 ADORA2A (0.45) KDM4EALDH1A1GAAGRM1SMN1; SMN2
SCHEMBL29922988 0.73 JAK2 (0.45) POLBKDM4EALDH1A1GAAHPGD
SCHEMBL28362629 0.73 JAK2 (0.45) POLBKDM4EALDH1A1GAAHPGD
SCHEMBL1931754 0.72 GAA (0.65) KDM4EALDH1A1GAASMN1; SMN2MAPT
SCHEMBL27905112 0.72 KDM4E (0.47) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL8135631 0.72 GSK3B (0.51) KDM4EGAAMEN1KMT2A

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 POLB 979/4885KDM4E 4499/4885ALDH1A1 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.