SCHEMBL5774873

SCHEMBL5774873

Cc1onc(-c2c(F)cccc2F)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
ALDH1A1 P00352 4/20 0.53
GPBAR1 Q8TDU6 1/20 0.52
GAA P10253 2/20 0.51
MAPT P10636 1/20 0.51
ATM Q13315 2/20 0.51
GLA P06280 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
TSHR P16473 1/20 0.50
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
ALOX15 P16050 1/20 0.49
NPC1 O15118 1/20 0.48

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
SCHEMBL5777172 0.90 KMT2A (0.49) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL899628 0.90 LMNA (0.68) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6645109 0.87 KMT2A (0.52) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6644159 0.86 LMNA (0.56) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6695996 0.85 GPBAR1 (0.49) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL12544125 0.85 GPBAR1 (0.49) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL3826089 0.84 GPBAR1 (0.60) LMNAKMT2AMEN1ALDH1A1GPBAR1
SCHEMBL30395326 0.84 GPBAR1 (0.60) LMNAKMT2AMEN1ALDH1A1GPBAR1
SCHEMBL3928735 0.83 TSHR (0.56) LMNAKMT2AMEN1ALDH1A1GAA
SCHEMBL5775105 0.83 ALDH1A1 (0.59) LMNASMN1; SMN2KMT2AMEN1ALDH1A1

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 LMNA 2127/4885SMN1; SMN2 4456/4885KMT2A 3995/4885

“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.