SCHEMBL4386592

SCHEMBL4386592

O=C(O)c1ccc(-c2ccc(F)c(F)c2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.60
P4HA1 P13674 3/20 0.59
P4HTM Q9NXG6 2/20 0.59
KMO O15229 2/20 0.55
NPC1 O15118 3/20 0.51
RXFP1 Q9HBX9 1/20 0.51
HPGDS O60760 1/20 0.49
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
VNN1 O95497 1/20 0.46
TP53 P04637 1/20 0.46
KDM5A P29375 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
MIF P14174 1/20 0.44
GABRP O00591 1/20 0.43
GABRD O14764 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
SCHEMBL8521766 0.82 LDHA (0.85) LDHAP4HA1P4HTMNPC1RXFP1
SCHEMBL2947695 0.81 NPC1 (0.75) LDHAP4HA1P4HTMNPC1RXFP1
SCHEMBL30753641 0.81 LDHA (0.81) LDHAP4HA1P4HTMNPC1RXFP1
SCHEMBL22332190 0.81 P4HA1 (0.76) LDHAP4HA1P4HTMNPC1RXFP1
SCHEMBL28312333 0.81 LDHA (0.81) LDHAP4HA1P4HTMNPC1RXFP1
SCHEMBL1542758 0.80 LDHA (0.80) LDHAP4HA1P4HTMNPC1RXFP1
SCHEMBL503140 0.80 LDHA (0.79) LDHAP4HA1P4HTMKMONPC1
SCHEMBL1543156 0.79 HPGDS (0.76) LDHAP4HA1P4HTMKMONPC1
SCHEMBL31243319 0.79 LDHA (0.62) LDHAP4HA1P4HTMNPC1RXFP1
SCHEMBL31243318 0.79 LDHA (0.62) LDHAP4HA1P4HTMNPC1RXFP1

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-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-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 (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-20060148855-A1 Carboxamide derivatives CNR2, CNR1, SUCNR1 LDHA 1319/4885P4HA1 1934/4885P4HTM 2607/4885

“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.