SCHEMBL2545182

SCHEMBL2545182

CCCC(C)Nc1ccc2nc[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
ADRA2A P08913 1/20 0.47
ADRA2C P18825 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
NAMPT P43490 2/20 0.46
QPCT Q16769 13/20 0.46
HTT P42858 1/20 0.45
P2RY14 Q15391 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
SCHEMBL2545178 0.89 TLR8 (0.38) EPHX1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL17036636 0.82 ADRA2A (0.54) EPHX1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL18649372 0.79 ADRA2A (0.51) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL2484239 0.77 EPHX1 (0.60) EPHX1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL16434608 0.76 QPCT (0.47) EPHX1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL12257241 0.75 ADRA2A (0.54) EPHX1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL16434605 0.75 QPCT (0.46) EPHX1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL29618002 0.75 P2RY14 (0.52) EPHX1NAMPTQPCTHTTP2RY14
SCHEMBL21025210 0.75 MMP12 (0.45) EPHX1NAMPTQPCTHTT
SCHEMBL2541647 0.75 ADRA2A (0.50) EPHX1ADRA2AADRA2CADRA1DADRA1A

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-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
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 EPHX1 2247/4885ADRA2A 4681/4885ADRA2C 4364/4885

“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.