SCHEMBL6069655

SCHEMBL6069655

Cc1onc(-c2ccncc2F)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DHODH Q02127 3/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EPAS1 Q99814 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL12543342 0.83 ALDH1A1 (0.53) GPBAR1ALDH1A1POLBL3MBTL1MAPK1
SCHEMBL6069125 0.83 NPC1 (0.46) GPBAR1ALDH1A1POLBKDM4EL3MBTL1
SCHEMBL30395326 0.81 GPBAR1 (0.60) GPBAR1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL3826089 0.81 GPBAR1 (0.60) GPBAR1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL6069403 0.81 ALDH1A1 (0.53) GPBAR1ALDH1A1POLBL3MBTL1MAPK1
SCHEMBL16333191 0.79 KMT2A (0.50) GPBAR1POLBL3MBTL1SMN1; SMN2KMT2A
SCHEMBL5773540 0.79 MAPT (0.57) GPBAR1POLBKMT2AMEN1GAA
SCHEMBL12543846 0.77 SLC22A12 (0.46) GPBAR1ALDH1A1POLBKDM4EL3MBTL1
SCHEMBL1930136 0.77 GPBAR1 (0.44) GPBAR1ALDH1A1POLBKMT2AMEN1
SCHEMBL16333679 0.77 GPBAR1 (0.53) GPBAR1ALDH1A1POLBKDM4EKMT2A

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 GPBAR1 176/4885ALDH1A1 212/4885POLB 979/4885

“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.