SCHEMBL2155563

SCHEMBL2155563

O=C(CC(=O)c1cccc([N+](=O)[O-])c1O)c1cccnc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 2/20 0.52
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
GPR35 Q9HC97 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
PDE10A Q9Y233 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
KMT2A Q03164 2/20 0.39
CTSB P07858 2/20 0.39
GAA P10253 1/20 0.39
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL2149144 0.81 HDAC6 (0.44) GPR35HDAC6ALDH1A1MAPTKDM4E
SCHEMBL3694218 0.78 KDM4E (0.44) HDAC6ALDH1A1MAPTKDM4EPOLB
SCHEMBL8564975 0.74 PDE10A (0.51) PDE10AALDH1A1MAPTKDM4EMEN1
SCHEMBL3585580 0.73 TTR (0.62) GPR35ALDH1A1MAPTKDM4EMEN1
SCHEMBL8439117 0.71 HDAC6 (0.47) GPR35HDAC6ALDH1A1KDM4EMEN1
SCHEMBL28058800 0.71 ERN1 (0.55) GPR35PDE10AALDH1A1MAPTKDM4E
SCHEMBL16787536 0.70 HDAC6 (0.48) GPR35HDAC6ALDH1A1MAPTKDM4E
SCHEMBL27673459 0.70 GPR35 (0.58) P2RX1CRHBPCRHR2GPR35ALDH1A1
SCHEMBL8328384 0.69 HDAC6 (0.45) GPR35HDAC6ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5052614 0.69 HDAC6 (0.47) GPR35HDAC6ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS GlaxoSmithKline, LLC 2015-05-28 US disclosed
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS GlaxoSmithKline, LLC 2015-05-28 US disclosed
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS GlaxoSmithKline, LLC 2015-05-28 US disclosed
US-8987258-B2 Chromenone analogs as sirtuin modulators GLAXOSMITHKLINE LLC 2015-03-24 US disclosed
US-8987258-B2 Chromenone analogs as sirtuin modulators GLAXOSMITHKLINE LLC 2015-03-24 US disclosed
US-8987258-B2 Chromenone analogs as sirtuin modulators GLAXOSMITHKLINE LLC 2015-03-24 US disclosed
EP-2342188-B1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-07-30 EP disclosed
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
EP-2342188-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-07-13 EP disclosed
WO-2010037127-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-04-01 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-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 P2RX1 2635/4885CRHBP 1097/4885CRHR2 2308/4885
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 P2RX1 1891/4885CRHBP 1151/4885CRHR2 1755/4885

“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.