SCHEMBL6992447

SCHEMBL6992447

O=C(O)c1nc2c(F)cc(F)cc2nc1O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.35
HCAR1 Q9BXC0 1/20 0.34
ERN1 O75460 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HCAR2 Q8TDS4 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
KMO O15229 1/20 0.31
IGFBP3 P17936 1/20 0.31
PIN1 Q13526 1/20 0.31

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
SCHEMBL6987970 0.93 ALDH1A1 (0.36) EGLN1HCAR1ERN1MAPTALDH1A1
SCHEMBL3699368 0.77 ALDH1A1 (0.42) EGLN1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL26617913 0.75 KDM4E (0.53) MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL2775275 0.75 KDM4E (0.53) MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL24188611 0.68 TNKS (0.30)
6,7-Dichloro-3-Hydroxy-2-Quinoxalinecarboxylic Acid SCHEMBL4287210 0.66 GRIN2D (0.53) MAPTALDH1A1SMN1; SMN2LMNAKMO
SCHEMBL7968125 0.66 ACHE (0.59) EGLN1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL42617 0.65 ALDH1A1 (0.75) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2907723 0.64 IGFBP3 (0.43) MAPTRAB9AKMOIGFBP3
SCHEMBL7174003 0.64 MGAM (0.44) MAPTALDH1A1RAB9AKMO

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-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 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-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN FABP4, FABP1, FABP3 EGLN1 2707/4885HCAR1 556/4885ERN1 3237/4885

“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.