SCHEMBL4388622

SCHEMBL4388622

O=C(O)c1ccc(-c2ccc(F)cc2F)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HA1 P13674 3/20 0.58
P4HTM Q9NXG6 2/20 0.58
KMO O15229 2/20 0.56
DHODH Q02127 1/20 0.54
LDHA P00338 3/20 0.54
KDM4A O75164 1/20 0.47
KDM5A P29375 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
NPC1 O15118 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAP4K4 O95819 1/20 0.46
HPGDS O60760 1/20 0.44
FEN1 P39748 2/20 0.44
MIF P14174 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
DHFR P00374 1/20 0.43

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
SCHEMBL2069893 0.88 P4HA1 (0.58) P4HA1P4HTMKMODHODHLDHA
SCHEMBL4653904 0.85 P4HA1 (0.54) P4HA1P4HTMKMODHODHLDHA
SCHEMBL1543497 0.83 P4HA1 (0.56) P4HA1P4HTMLDHAKDM4CNPC1
SCHEMBL9607067 0.82 DHODH (0.47) KMODHODHKDM4AKDM5AKDM4C
SCHEMBL27605098 0.81 LDHA (0.51) P4HA1P4HTMKMODHODHLDHA
SCHEMBL2070102 0.81 LDHA (0.62) P4HA1P4HTMDHODHLDHANPC1
SCHEMBL30540118 0.79 KMO (0.47) KMODHODHNPC1FEN1MEN1
SCHEMBL19248543 0.79 KMO (0.47) KMODHODHNPC1FEN1MEN1
SCHEMBL2120167 0.79 P4HA1 (0.46) P4HA1P4HTMKMODHODHLDHA
SCHEMBL3501871 0.77 DHODH (0.44) KMODHODHNPC1RXFP1HPGDS

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608617-B1 MUSCARINIC AGONISTS LILLY CO ELI (US) 2013-01-09 EP disclosed
EP-1606289-B1 CARBOXAMIDE DERIVATIVES GLAXO GROUP LTD (GB) 2009-12-02 EP disclosed
US-7531558-B2 e.g. 6-(4-Fluorophenyl)-2-methyl-N-(2-methylbenzothiazol-5-yl)nicotinamide; vanilloid (capsaicin) receptor modulator; analgesic; chronic, neuropathic, postoperative, postrheumatoid arthritic, osteoarthritic, back, cancer, dental pain, algesia, neuralgia, migraine, neuropathies, ischaemia GLAXO GROUP LIMITED (GB) 2009-05-12 US disclosed
US-7326731-B2 Muscarinic agonists ELI LILLY AND COMPANY (US) 2008-02-05 US disclosed
EP-1644320-B1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed
US-7265246-B2 Indane derivates as muscarinic receptor agonists ELI LILLY AND COMPANY (US) 2007-09-04 US disclosed
US-20070060587-A1 Indane derivates as muscarinic receptor agonists ELI LILLY AND COMPANY (US) 2007-03-15 US disclosed
US-20060148855-A1 Carboxamide derivatives GLAXO GROUP LIMITED (GB) 2006-07-06 US disclosed
EP-1606289-A1 CARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-12-21 EP disclosed
WO-2004072069-A1 CARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-08-26 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 (2 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-20060148855-A1 Carboxamide derivatives CNR2, CNR1, SUCNR1 P4HA1 1934/4885P4HTM 2607/4885KMO 2640/4885
US-20070060587-A1 Indane derivates as muscarinic receptor agonists CHRM1, CHRM3, CHRM2 P4HA1 3159/4885P4HTM 2222/4885KMO 1066/4885

“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.