SCHEMBL2547500

SCHEMBL2547500

CCCCNc1ccc2[nH]cnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
AR P10275 1/20 0.41
MMP12 P39900 1/20 0.41
BCHE P06276 1/20 0.39
TRPC3 Q13507 1/20 0.39
TRPC4 Q9UBN4 1/20 0.39
TRPC5 Q9UL62 1/20 0.39
ABL1 P00519 1/20 0.39
UTS2R Q9UKP6 2/20 0.39
MERTK Q12866 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
XDH P47989 1/20 0.38
POLA1 P09884 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CRBN Q96SW2 1/20 0.37
KDM4E B2RXH2 1/20 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
SCHEMBL20011724 0.91 EPHX1 (0.43) EPHX1ARMMP12KDM4EADRA2A
SCHEMBL2484239 0.88 EPHX1 (0.60) EPHX1MMP12MERTKADRA2AADRA2C
SCHEMBL18126690 0.84 MMP12 (0.41) EPHX1ARMMP12KDM4EADRA2A
SCHEMBL24418055 0.79 EPHX1 (0.40) EPHX1ARADRA2AADRA2CADRA1D
Benzimidazole SCHEMBL14432690 0.78 BCHE (0.46) EPHX1BCHETRPC3TRPC4TRPC5
SCHEMBL22088631 0.78 MMP12 (0.36) EPHX1ARMMP12KDM4EADRA2A
SCHEMBL2541644 0.77 AR (0.42) ARMMP12KDM4EADRA2AADRA2C
SCHEMBL20011723 0.77 AR (0.43) EPHX1ARMMP12KDM4EADRA2A
SCHEMBL2538614 0.77 NPC1 (0.56) ABL1KDM4ELMNAHPGD
SCHEMBL2541353 0.77 QPCT (0.54)

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 EPHX1 2247/4885AR 4762/4885MMP12 3622/4885

“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.