SCHEMBL5775889

SCHEMBL5775889

Cc1noc(-c2c(F)cccc2Cl)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 3/20 0.47
GPBAR1 Q8TDU6 1/20 0.46
ATM Q13315 2/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 2/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL6641279 0.89 LMNA (0.48) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL5774786 0.85 ALDH1A1 (0.56) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL899628 0.80 LMNA (0.68) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL12543516 0.77 KMT2A (0.49) KMT2AMEN1LMNAALDH1A1GPBAR1
SCHEMBL30395754 0.77 KMT2A (0.49) KMT2AMEN1LMNAALDH1A1GPBAR1
SCHEMBL5775092 0.76 RORC (0.56) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL5774615 0.75 LMNA (0.59) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL5777789 0.73 FTO (0.42) FTOGPBAR1MAPTGAATP53
SCHEMBL4339483 0.72 NR4A1 (0.44) FTOSMN1; SMN2ALDH1A1GPBAR1MAPT
SCHEMBL19216899 0.72 IDH1 (0.57) KMT2AMEN1LMNASMN1; SMN2ALDH1A1

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 FTO 4542/4885KMT2A 4688/4885MEN1 2632/4885
US-20040077675-A1 Compounds and methods for inhibiting MRP1 ABCC1, ABCB1, ABCB11 FTO 4806/4885KMT2A 3995/4885MEN1 1445/4885
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ABCC1, ABCB11, ABCB1 FTO 4682/4885KMT2A 4622/4885MEN1 3042/4885

“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.