SCHEMBL852145

SCHEMBL852145

N#Cc1ccc(Oc2ccc([N+](=O)[O-])c(Oc3ccc(C#N)cc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 2/20 0.50
MAPT P10636 2/20 0.46
MAP4K4 O95819 1/20 0.43
PIN1 Q13526 4/20 0.40
VCAM1 P19320 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.38
CTSB P07858 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
PKM P14618 1/20 0.37
LRRK2 Q5S007 1/20 0.36
LTA4H P09960 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
SCHEMBL6579785 0.84 MAP4K4 (0.47) MERTKMAPTMAP4K4PIN1VCAM1
SCHEMBL850903 0.78 MEN1 (0.64) MERTKMAPTMEN1KMT2ANPC1
SCHEMBL851384 0.75 F10 (0.57) MAPTMAP4K4MEN1KMT2ARAB9A
SCHEMBL8509596 0.73 F10 (0.53) MAPTMAP4K4MEN1KMT2ARAB9A
SCHEMBL860782 0.72 MERTK (0.68) MERTKMAPTVCAM1MEN1KMT2A
SCHEMBL4914975 0.72 MERTK (0.56) MERTKMAPTPIN1VCAM1MEN1
SCHEMBL20982786 0.71 MERTK (0.56) MERTKMAPTVCAM1MEN1KMT2A
SCHEMBL1340217 0.71 MERTK (0.62) MERTKMAPTVCAM1MEN1KMT2A
SCHEMBL3128583 0.71 HSPB1 (0.59) MERTKMAPTVCAM1MEN1KMT2A
SCHEMBL31176905 0.70 EGLN1 (0.47) MERTKMAPTMAP4K4PIN1VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 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 (2 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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 MERTK 3357/4885MAPT 2785/4885MAP4K4 3209/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 MERTK 3357/4885MAPT 2785/4885MAP4K4 3209/4885

“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.