SCHEMBL2545178

SCHEMBL2545178

CCCC(C)Nc1ccc2[nH]cnc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
EPHX1 P07099 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
HTT P42858 1/20 0.37
NAMPT P43490 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
QPCT Q16769 5/20 0.36

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
SCHEMBL2545182 0.89 EPHX1 (0.48) EPHX1HTTNAMPTQPCTADRA2A
SCHEMBL19558168 0.82 ADRA2A (0.40) HTTNAMPTALDH1A1TDP1QPCT
SCHEMBL2547500 0.77 EPHX1 (0.47) TLR8TLR7EPHX1UTS2RCYP3A4
SCHEMBL20011724 0.76 EPHX1 (0.43) EPHX1HTTALDH1A1TDP1SMN1; SMN2
SCHEMBL9368582 0.76 QPCT (0.44) NAMPTALDH1A1QPCT
SCHEMBL18126690 0.75 MMP12 (0.41) EPHX1NAMPTALDH1A1TDP1QPCT
Hydrochloric Acid SCHEMBL9373372 0.75 QPCT (0.43) NAMPTALDH1A1QPCT
SCHEMBL19522879 0.75 HTT (0.36) HTTALDH1A1TDP1QPCTKDM4E
SCHEMBL21240033 0.75 HTT (0.36) HTTALDH1A1TDP1QPCTKDM4E
SCHEMBL2541644 0.75 AR (0.42) HTTNAMPTALDH1A1TDP1QPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541596-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-24 US disclosed
US-8541596-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-24 US disclosed
EP-2560953-A2 NOVEL INHIBITORS Probiodrug AG (DE) 2013-02-27 EP disclosed
WO-2011131748-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 WO disclosed
WO-2011131748-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 WO disclosed
US-20110262388-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 US disclosed
US-20110262388-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 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-20110262388-A1 NOVEL INHIBITORS GLUL, QPCT, GLS TLR8 4655/4885TLR7 4719/4885EPHX1 2247/4885

“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.