SCHEMBL6989185

SCHEMBL6989185

O=C(c1nc2ccccc2nc1O)N1CCCCC(Cc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD11B1 P28845 1/20 0.47
SPR P35270 1/20 0.47
SCD5 Q86SK9 1/20 0.45
RIPK1 Q13546 1/20 0.43
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
GRIN2D O15399 4/20 0.41
GRIN3B O60391 4/20 0.41
GRIN1 Q05586 4/20 0.41
GRIN2A Q12879 4/20 0.41
GRIN2B Q13224 4/20 0.41
GRIN2C Q14957 4/20 0.41
GRIN3A Q8TCU5 4/20 0.41

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 0.97 HSD11B1 (0.50) TACR3MEN1ALDH1A1KMT2AHSD11B1
SCHEMBL6986268 0.88 HCRTR1 (0.47) HSD11B1RIPK1
SCHEMBL6989130 0.85 RIPK1 (0.45) MEN1ALDH1A1KMT2ARIPK1FAAH
SCHEMBL6988441 0.85 EED (0.43) MEN1ALDH1A1KMT2AHSD11B1SPR
SCHEMBL3696474 0.84 CYP2C9 (0.56) FAAHMGLLGRIN2DGRIN3BGRIN1
SCHEMBL6989129 0.83 EED (0.60) ALDH1A1
SCHEMBL6989176 0.81 EPHX2 (0.48) MEN1ALDH1A1KMT2AHSD11B1
SCHEMBL6989978 0.79 SCD5 (0.51) MEN1KMT2AHSD11B1SCD5
SCHEMBL3696411 0.78 PTK2 (0.58) MEN1ALDH1A1KMT2A
SCHEMBL3707318 0.78 SCD5 (0.47) MEN1KMT2ASCD5

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 TACR3 4268/4885MEN1 4880/4885ALDH1A1 1295/4885

“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.