SCHEMBL15058772

SCHEMBL15058772

CC(C)(C)NC(=O)OC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.53
ADRB1 P08588 2/20 0.53
ADRB3 P13945 2/20 0.53
POLB P06746 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
MAPK1 P28482 2/20 0.49
CES1 P23141 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 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
SCHEMBL28451507 0.83 POLB (0.56) ADRB2ADRB1ADRB3POLBKMT2A
SCHEMBL254773 0.80 CES1 (0.65) POLBKMT2AMEN1MAPK1CES1
SCHEMBL1857541 0.79 MAPK1 (0.56) POLBKMT2AMEN1MAPK1CES1
Methylamine SCHEMBL29169653 0.79 TSHR (0.60) POLBKMT2AMEN1MAPK1CES1
SCHEMBL1733955 0.78 MGLL (0.57) KMT2AMEN1MAPK1NR1H4PKM
SCHEMBL27866766 0.78 POLB (0.62) ADRB2ADRB1ADRB3POLBKMT2A
SCHEMBL20448111 0.78 ALDH1A1 (0.47) POLBKMT2AMEN1MAPK1CES1
SCHEMBL5389258 0.77 MAPK1 (0.63) POLBKMT2AMEN1MAPK1CES1
SCHEMBL27487269 0.77 POLB (0.50) ADRB2ADRB1ADRB3POLBKMT2A
SCHEMBL306161 0.77 POLB (0.81) POLBKMT2AMEN1MAPK1CES1

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
EP-2794603-B1 [1,2,4]TRIAZOLOPYRIDINES AND THEIR USE AS PHOSPODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-06-15 EP disclosed
US-9181248-B2 [1,2,4]triazolopyridines and their use as phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-11-10 US disclosed
US-20150105420-A1 [1,2,4]TRIAZOLOPYRIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS UNION therapeutics A/S (DK) 2015-04-16 US disclosed
US-8940761-B2 [1,2,4]triazolopyridines and their use as phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-01-27 US disclosed
US-20140329853-A1 [1,2,4]TRIAZOLOPYRIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS UNION therapeutics A/S (DK) 2014-11-06 US disclosed
EP-2794603-A1 [1,2,4]TRIAZOLOPYRIDINES AND THEIR USE AS PHOSPODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2014-10-29 EP disclosed
WO-2013092739-A1 [1,2,4]TRIAZOLOPYRIDINES AND THEIR USE AS PHOSPODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-06-27 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-20140329853-A1 [1,2,4]TRIAZOLOPYRIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE3A, PDE2A ADRB2 289/4885ADRB1 243/4885ADRB3 308/4885
US-20150105420-A1 [1,2,4]TRIAZOLOPYRIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE3A, PDE2A ADRB2 289/4885ADRB1 243/4885ADRB3 308/4885

“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.