SCHEMBL728962

SCHEMBL728962

COC(=O)c1ccc(OC)c(O)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
TDP1 Q9NUW8 4/20 0.50
POLB P06746 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.43
MAPT P10636 5/20 0.42
LMNA P02545 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42
ALOX15 P16050 1/20 0.42
GAA P10253 1/20 0.41
NPC1 O15118 2/20 0.41

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
SCHEMBL1553222 0.89 TDP1 (0.51) KDM4ETDP1POLBCTDSP1L3MBTL1
SCHEMBL1447280 0.87 PKM (0.56) KDM4ETDP1POLBCTDSP1L3MBTL1
SCHEMBL14495072 0.86 KDM4E (0.51) KDM4ETDP1POLBCTDSP1L3MBTL1
SCHEMBL8307192 0.83 SMN1; SMN2 (0.46) TDP1POLBSMN1; SMN2PKMMAPT
SCHEMBL15440631 0.83 KDM4E (0.59) KDM4ETDP1POLBCTDSP1L3MBTL1
SCHEMBL3667323 0.81 COMT (0.44) KDM4ETDP1POLBSMN1; SMN2MAPT
SCHEMBL1553415 0.81 KDM4E (0.54) KDM4ETDP1POLBCTDSP1L3MBTL1
SCHEMBL1354361 0.81 SMN1; SMN2 (0.41) KDM4ETDP1POLBCTDSP1L3MBTL1
SCHEMBL2521491 0.81 HPGD (0.52) KDM4ETDP1POLBCTDSP1L3MBTL1
SCHEMBL14495071 0.81 HPGDS (0.51) KDM4ETDP1POLBCTDSP1L3MBTL1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9078887-B2 Bicyclic heteroaryl inhibitors of PDE4 KALYPSYS, INC. (US) 2015-07-14 US disclosed
US-20130178498-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2013-07-11 US disclosed
US-20130116279-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2013-05-09 US disclosed
US-20130045975-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2013-02-21 US disclosed
US-20130045975-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2013-02-21 US disclosed
US-20130045975-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2013-02-21 US disclosed
US-8258154-B2 Bicyclic heteroaryl inhibitors of PDE4 KALYPSYS INC. (US) 2012-09-04 US disclosed
EP-2467376-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Kalypsys, Inc. (US) 2012-06-27 EP disclosed
US-8138205-B2 Heteroarylalkoxy-substituted quinolone inhibitors of PDE4 KALYPSYS, INC. (US) 2012-03-20 US disclosed
US-8138205-B2 Heteroarylalkoxy-substituted quinolone inhibitors of PDE4 KALYPSYS, INC. (US) 2012-03-20 US disclosed
WO-2011093924-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC (US) 2011-08-04 WO disclosed
US-20100081646-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2010-04-01 US disclosed
US-20100081646-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2010-04-01 US disclosed
US-20100081646-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2010-04-01 US disclosed
US-20100022586-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2010-01-28 US disclosed
US-20090291950-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2009-11-26 US disclosed
EP-2037924-A2 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Govek, Steven P. (US) 2009-03-25 EP disclosed
US-20080027099-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Govek, Steven (US) 2008-01-31 US disclosed
WO-2008006050-A2 BICYCLIC HETEROARYL INHIBITORS OF PDE4 GOVEK STEVEN P (US) 2008-01-10 WO disclosed
WO-2008006052-A2 BICYCLIC HETEROARYL INHIBITORS OF PDE4 GOVEK STEVEN P (US) 2008-01-10 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 (7 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-20130178498-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C KDM4E 1489/4885TDP1 344/4885POLB 2106/4885
US-20100022586-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C KDM4E 594/4885TDP1 215/4885POLB 1484/4885
US-20130045975-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C KDM4E 1489/4885TDP1 344/4885POLB 2106/4885
US-20080027099-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C KDM4E 1489/4885TDP1 344/4885POLB 2106/4885
US-20130116279-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C KDM4E 1489/4885TDP1 344/4885POLB 2106/4885
US-20090291950-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C KDM4E 594/4885TDP1 215/4885POLB 1484/4885
US-20100081646-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C KDM4E 1489/4885TDP1 344/4885POLB 2106/4885

“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.