SCHEMBL2069893

SCHEMBL2069893

O=C(O)c1ccc(-c2cc(F)ccc2F)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
LDHA P00338 3/20 0.54
NPC1 O15118 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAP4K4 O95819 1/20 0.46
HPGDS O60760 1/20 0.44
MIF P14174 1/20 0.43
DHODH Q02127 2/20 0.43
KMO O15229 2/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42

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
SCHEMBL4388622 0.88 P4HA1 (0.58) P4HA1P4HTMLDHANPC1RXFP1
SCHEMBL1543497 0.86 P4HA1 (0.56) P4HA1P4HTMLDHANPC1RXFP1
SCHEMBL1367804 0.82 DHODH (0.52) P4HA1P4HTMLDHAMAP4K4MIF
SCHEMBL4653904 0.82 P4HA1 (0.54) P4HA1P4HTMLDHANPC1RXFP1
SCHEMBL2070102 0.81 LDHA (0.62) P4HA1P4HTMLDHANPC1MIF
SCHEMBL2070761 0.79 GABRA5 (0.44) LDHANPC1RXFP1HPGDSDHODH
SCHEMBL27605098 0.79 LDHA (0.51) P4HA1P4HTMLDHANPC1RXFP1
SCHEMBL1543299 0.77 KDM4E (0.48) P4HA1P4HTMLDHAHPGDSDHODH
SCHEMBL2947695 0.77 NPC1 (0.75) P4HA1P4HTMLDHANPC1RXFP1
SCHEMBL4386592 0.76 LDHA (0.60) P4HA1P4HTMLDHANPC1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
EP-2129660-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Pfizer Products Inc. (US) 2009-12-09 EP disclosed
WO-2008075172-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-06-26 WO disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK P4HA1 1821/4885P4HTM 2276/4885LDHA 1311/4885

“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.