SCHEMBL5728588

SCHEMBL5728588

NCCCC=Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.43
LOXL2 Q9Y4K0 1/20 0.41
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
HSD11B1 P28845 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
APP P05067 1/20 0.38
PTGS1 P23219 1/20 0.38
FBP1 P09467 1/20 0.37
DRD2 P14416 2/20 0.37

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
SCHEMBL11587602 0.89 TNNC1 (0.38)
SCHEMBL8975003 0.88 NFE2L2 (0.46) NFE2L2LOXL2GRIK1GRIK2HSD11B1
SCHEMBL4772823 0.80 NFE2L2 (0.43) NFE2L2GRIK1GRIK2HSD11B1APP
SCHEMBL4772837 0.80 NFE2L2 (0.43) NFE2L2GRIK1GRIK2HSD11B1APP
SCHEMBL15050819 0.80 NFE2L2 (0.47) NFE2L2HSD11B1APPPTGS1
SCHEMBL11353943 0.80 KCNH2 (0.42) NFE2L2GRIK1GRIK2TAAR1FBP1
SCHEMBL1830641 0.80 HSD11B1 (0.44) NFE2L2GRIK1GRIK2HSD11B1APP
SCHEMBL15050816 0.80 NFE2L2 (0.47) NFE2L2HSD11B1APPPTGS1
SCHEMBL1829428 0.79 IDO1 (0.50)
SCHEMBL1323652 0.79 IDO1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1691803-A1 N-ALKYL PYRROLES AS HMG-COA REDUCTASE INHIBITORS Warner-Lambert Company LLC (US) 2006-08-23 EP disclosed
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors WARNER-LAMBERT COMPANY 2005-07-14 US disclosed
WO-2005056004-A1 N-ALKYL PYRROLES AS HMG-COA REDUCTASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-23 WO 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-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors HMGCR, DHCR7, CYP11A1 NFE2L2 1798/4885LOXL2 1820/4885GRIK1 2306/4885

“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.