SCHEMBL6989447

SCHEMBL6989447

O=C(c1nc2ccccc2nc1O)N1CCC(c2cccc(Cl)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.53
SPR P35270 3/20 0.51
SCD5 Q86SK9 3/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 3/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
GRM2 Q14416 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
SCHEMBL6987231 0.87 PROKR1 (0.51) HSD11B1SPRTP53MAPTNPC1
SCHEMBL6987252 0.86 HSD11B1 (0.50) HSD11B1SPRSCD5CACNA1BAPBA1
SCHEMBL6989435 0.84 PROKR1 (0.52) HSD11B1TP53MAPTNPC1KMT2A
SCHEMBL6987335 0.80 ADAM17 (0.48) SCD5
SCHEMBL4151908 0.75 HSD11B1 (0.55) HSD11B1SPRSCD5TP53MAPT
SCHEMBL6990102 0.75 PROKR1 (0.50) HSD11B1SPRCACNA1BAPBA1TP53
SCHEMBL3696411 0.72 PTK2 (0.58) MAPTKMT2ASMN1; SMN2
SCHEMBL3693099 0.71 FABP4 (0.59) SCD5
SCHEMBL3693140 0.71 FABP4 (0.59) SCD5
SCHEMBL3693103 0.71 FABP4 (0.59) SCD5

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 HSD11B1 973/4885SPR 666/4885SCD5 40/4885

“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.