SCHEMBL5774719

SCHEMBL5774719

COc1cc(N(C(=O)c2c(-c3c(F)cccc3Cl)noc2-c2ccccc2)c2cccc(NC(C)=O)c2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.48
RORC P51449 3/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.43
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
GHSR Q92847 1/20 0.42
KDM4E B2RXH2 2/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
ALOX12 P18054 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL5776886 0.84 PTGS2 (0.49) PTGS2LMNAALDH1A1HPGDTSHR
SCHEMBL5776661 0.84 PTGS2 (0.45) PTGS2LMNAALDH1A1HPGDTSHR
SCHEMBL7226348 0.81 PTGS2 (0.45) PTGS2LMNAALDH1A1HPGDTSHR
SCHEMBL5774424 0.81 POLB (0.46) PTGS2LMNAALDH1A1HPGDTSHR
SCHEMBL5774429 0.79 POLB (0.46) PTGS2LMNAALDH1A1HPGDTSHR
SCHEMBL5774722 0.77 PTGS2 (0.57) PTGS2RORCLMNAHPGDSMN1; SMN2
SCHEMBL6691783 0.77 PTGS2 (0.39) PTGS2LMNAALDH1A1HPGDTSHR
SCHEMBL5778310 0.76 POLB (0.51) PTGS2LMNAALDH1A1HPGDTSHR
SCHEMBL5777332 0.75 PTGS2 (0.42) PTGS2LMNAALDH1A1HPGDTSHR
SCHEMBL5774936 0.75 PTGS2 (0.42) PTGS2LMNAALDH1A1HPGDTSHR

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 PTGS2 1354/4885RORC 3486/4885LMNA 2127/4885

“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.