SCHEMBL6988441

SCHEMBL6988441

Cc1cccc(CC2CCCN(C(=O)c3nc4ccccc4nc3O)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.43
POLB P06746 1/20 0.42
MGLL Q99685 1/20 0.42
ABHD6 Q9BV23 1/20 0.42
FAAH O00519 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
AKR1C3 P42330 1/20 0.40
HSD11B1 P28845 1/20 0.40
SPR P35270 1/20 0.40
KDM1A O60341 1/20 0.40
ALDH1A2 O94788 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALDH2 P05091 1/20 0.40
ALDH3A1 P30838 1/20 0.40
ALDH1A3 P47895 1/20 0.40

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
SCHEMBL6989102 0.88 HSD11B1 (0.50) MGLLFAAHMEN1KMT2AAKR1C3
SCHEMBL6989130 0.88 RIPK1 (0.45) EEDFAAHMEN1KMT2AAKR1C3
SCHEMBL6989129 0.87 EED (0.60) EEDPOLBALDH1A1
SCHEMBL6989185 0.85 TACR3 (0.48) MGLLFAAHMEN1KMT2AHSD11B1
SCHEMBL6986268 0.82 HCRTR1 (0.47) HSD11B1
SCHEMBL6989176 0.82 EPHX2 (0.48) EEDPOLBMEN1KMT2AAKR1C3
SCHEMBL6986822 0.79 HCRTR1 (0.52)
SCHEMBL6989348 0.78 HCRTR1 (0.51)
SCHEMBL3696474 0.75 CYP2C9 (0.56) MGLLFAAH
SCHEMBL13503047 0.74 GPR119 (0.54) EEDPOLBKDM1A

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 EED 4265/4885POLB 4687/4885MGLL 91/4885

“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.