SCHEMBL6069249

SCHEMBL6069249

Cc1onc(-c2ncccc2F)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
DHODH Q02127 2/20 0.42
ALDH1A1 P00352 3/20 0.41
GPBAR1 Q8TDU6 2/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL899142 0.85 GAA (0.47) LMNASMN1; SMN2KMT2AMEN1GAA
SCHEMBL6069272 0.83 NPC1 (0.55) NPC1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL5774873 0.82 LMNA (0.54) NPC1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL12691771 0.81 HSD17B10 (0.48) LMNASMN1; SMN2KMT2AMEN1GAA
SCHEMBL30395326 0.79 GPBAR1 (0.60) NPC1LMNAKMT2AMEN1GAA
SCHEMBL3826089 0.79 GPBAR1 (0.60) NPC1LMNAKMT2AMEN1GAA
SCHEMBL6695996 0.77 GPBAR1 (0.49) LMNASMN1; SMN2KMT2AMEN1GAA
SCHEMBL12544125 0.77 GPBAR1 (0.49) LMNASMN1; SMN2KMT2AMEN1GAA
SCHEMBL30684510 0.77 GABRA5 (0.54) LMNASMN1; SMN2KMT2AMEN1GAA
SCHEMBL12543755 0.77 GABRA5 (0.54) LMNASMN1; SMN2KMT2AMEN1GAA

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
US-7037921-B2 Useful for inhibiting resistant neoplasms where the resistance is conferred in part or in total by multidrug resistance protein MRP1 ELI LILLY AND COMPANY (US) 2006-05-02 US disclosed
EP-1392702-B1 COMPOUNDS AND METHODS FOR INHIBITING MRP1 LILLY CO ELI (US) 2005-11-30 EP disclosed
US-20040097507-A1 Compounds and methods for inhibiting mrp1 BONJOUKLIAN ROSANNE (US) 2004-05-20 US disclosed
EP-1392702-A1 COMPOUNDS AND METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002081482-A1 COMPOUNDS AND METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-10-17 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-20040097507-A1 Compounds and methods for inhibiting mrp1 ABCC1, ABCB1, ABCB11 NPC1 17/4885LMNA 2127/4885SMN1; SMN2 4456/4885

“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.