SCHEMBL5775092

SCHEMBL5775092

O=C(O)c1c(-c2c(F)cccc2Cl)noc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.56
KDM4E B2RXH2 1/20 0.55
PPARG P37231 1/20 0.55
NCOA2 Q15596 1/20 0.55
LMNA P02545 4/20 0.55
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
PTGS2 P35354 1/20 0.50
GPBAR1 Q8TDU6 1/20 0.50
ATM Q13315 2/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL6642289 0.91 KDM4E (0.54) RORCKDM4EPPARGNCOA2LMNA
SCHEMBL5777104 0.87 PTGS1 (0.65) RORCKDM4EPPARGNCOA2LMNA
SCHEMBL5774615 0.84 LMNA (0.59) KDM4EPPARGNCOA2LMNAKMT2A
SCHEMBL899628 0.83 LMNA (0.68) KDM4EPPARGNCOA2LMNAKMT2A
SCHEMBL2730710 0.79 KDM4E (0.47) RORCKDM4EPPARGNCOA2LMNA
SCHEMBL19216899 0.78 IDH1 (0.57) KDM4EPPARGNCOA2LMNAKMT2A
SCHEMBL2281353 0.77 PTGS1 (0.69) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL26187376 0.77 RORC (0.46) RORCKDM4EPPARGNCOA2LMNA
SCHEMBL11911207 0.77 KMT2A (0.50) KDM4EPPARGNCOA2LMNAKMT2A
SCHEMBL22570862 0.77 PTGS1 (0.73) RORCKDM4ELMNAALDH1A1PTGS2

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 RORC 3486/4885KDM4E 4499/4885PPARG 3938/4885

“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.