SCHEMBL305884

SCHEMBL305884

O=C(c1ncccc1[N+](=O)[O-])c1ncccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.53
POLB P06746 1/20 0.51
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 2/20 0.49
PAX8 Q06710 1/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CTSB P07858 2/20 0.47
LMNA P02545 2/20 0.47
HSP90AA1 P07900 2/20 0.47
GAA P10253 1/20 0.47
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL1232905 0.87 KDM4E (0.54) PDE10APOLBALDH1A1MEN1KMT2A
SCHEMBL28228342 0.85 PDE10A (0.50) PDE10APOLBALDH1A1MEN1KMT2A
SCHEMBL8565503 0.85 PDE10A (0.50) PDE10APOLBALDH1A1MEN1KMT2A
SCHEMBL3381186 0.85 ALDH1A1 (0.51) PDE10APOLBALDH1A1MEN1KMT2A
SCHEMBL7049057 0.82 ALDH1A1 (0.49) PDE10APOLBALDH1A1MEN1KMT2A
SCHEMBL29028896 0.82 ALDH1A1 (0.60) PDE10APOLBALDH1A1MEN1KMT2A
SCHEMBL6448689 0.81 PDE10A (0.50) PDE10APOLBALDH1A1MEN1KMT2A
SCHEMBL24377212 0.81 CTSD (0.57) PDE10APOLBALDH1A1MEN1KMT2A
SCHEMBL11724759 0.81 ALDH1A1 (0.48) PDE10APOLBALDH1A1MEN1KMT2A
SCHEMBL1231901 0.81 ALDH1A1 (0.51) PDE10APOLBALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 US disclosed
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. 2019-06-06 US disclosed
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2019-02-19 US disclosed
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2017-04-06 US disclosed
US-20140031348-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX INC (US) 2014-01-30 US disclosed
EP-2354126-B1 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX INC (US) 2013-09-25 EP disclosed
US-8519135-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2013-08-27 US disclosed
EP-2474532-A1 Heteroaryl sulfonamides and CCR2 ChemoCentryx, Inc. (US) 2012-07-11 EP disclosed
US-8093247-B2 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. (US) 2012-01-10 US disclosed
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2011-05-19 US disclosed
EP-1838674-B1 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX INC (US) 2011-03-30 EP disclosed
US-20100056509-A1 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX, INC. 2010-03-04 US disclosed
US-7622583-B2 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. (US) 2009-11-24 US disclosed
WO-2008008431-A2 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed
EP-1838674-A2 HETEROARYL SULFONAMIDES AND CCR2 ChemoCentryx Inc (US) 2007-10-03 EP disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-20060173019-A1 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. 2006-08-03 US disclosed
WO-2006076644-A2 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX, INC. (US) 2006-07-20 WO disclosed
CN-1279682-A bicyclic kinase inhibitors HOFFMANN LA ROCHE (CH) 2001-01-10 CN 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 (10 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-20060173019-A1 Heteroaryl sulfonamides and CCR2 CCR2, CXCR2, CCR1 PDE10A 4656/4885POLB 3773/4885ALDH1A1 2327/4885
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 PDE10A 3504/4885POLB 4044/4885ALDH1A1 2834/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 PDE10A 4149/4885POLB 4152/4885ALDH1A1 1867/4885
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 PDE10A 3504/4885POLB 4044/4885ALDH1A1 2834/4885
US-20100056509-A1 HETEROARYL SULFONAMIDES AND CCR2 CCR2, CXCR2, CCR1 PDE10A 4656/4885POLB 3773/4885ALDH1A1 2327/4885
US-20140031348-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 PDE10A 3504/4885POLB 4044/4885ALDH1A1 2834/4885
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 PDE10A 3504/4885POLB 4044/4885ALDH1A1 2834/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 PDE10A 3504/4885POLB 4044/4885ALDH1A1 2834/4885
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 PDE10A 3504/4885POLB 4044/4885ALDH1A1 2834/4885
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 PDE10A 3504/4885POLB 4044/4885ALDH1A1 2834/4885

“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.