SCHEMBL307380

SCHEMBL307380

CN(c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.49
NR3C2 P08235 1/20 0.47
APP P05067 1/20 0.45
KMT2A Q03164 3/20 0.43
MAPK1 P28482 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
S1PR4 O95977 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 1/20 0.43
S1PR1 P21453 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TLR9 Q9NR96 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHKA P35790 3/20 0.42
SCN9A Q15858 3/20 0.42

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
SCHEMBL13338132 0.89 APP (0.52) CES1APPKMT2AMAPK1MEN1
SCHEMBL13367592 0.89 CES1 (0.45) CES1NR3C2APPALDH1A1CHKA
SCHEMBL7155149 0.87 NR3C2 (0.56) CES1NR3C2KMT2AMAPK1MEN1
SCHEMBL6567354 0.84 MEN1 (0.52) CES1NR3C2KMT2AMAPK1MEN1
Benzene SCHEMBL14537401 0.84 MEN1 (0.52) CES1NR3C2KMT2AMAPK1MEN1
SCHEMBL31886 0.84 MEN1 (0.52) CES1NR3C2KMT2AMAPK1MEN1
SCHEMBL20385081 0.84 MEN1 (0.52) CES1NR3C2KMT2AMAPK1MEN1
SCHEMBL22931682 0.84 MEN1 (0.52) CES1NR3C2KMT2AMAPK1MEN1
Cyclopropane SCHEMBL7686540 0.82 APP (0.46) CES1APPALDH1A1TSHRHSD17B10
Water SCHEMBL10783463 0.81 CHKA (0.50) CES1NR3C2KMT2AMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510554-A Alpha-diimine nickel complex catalyst, preparation method and application thereof 北京服装学院 2024-02-06 CN disclosed
US-11706973-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-18 US disclosed
US-11706973-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-18 US disclosed
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
US-10916708-B2 Condensed cyclic compound and organic light emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2021-02-09 US disclosed
WO-2020159279-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2020-08-06 WO disclosed
EP-2977378-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2020-06-10 EP disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 US disclosed
US-10428090-B2 Condensed-cyclic compound and organic light-emitting device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-01 US disclosed
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. 2019-06-06 US disclosed
EP-2354126-A1 Heteroaryl sulfonamides and CCR2 ChemoCentryx, Inc. (US) 2011-08-10 EP 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
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-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 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 CES1 582/4885NR3C2 259/4885APP 3384/4885
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CES1 471/4885NR3C2 390/4885APP 4077/4885
US-10428090-B2 Condensed-cyclic compound and organic light-emitting device comprising the same C9, C1S, CCNL2 CES1 2824/4885NR3C2 667/4885APP 2099/4885
US-10916708-B2 Condensed cyclic compound and organic light emitting device including the same C1S, C9, CCNT1 CES1 1608/4885NR3C2 959/4885APP 1145/4885
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 CES1 393/4885NR3C2 528/4885APP 4427/4885
US-20100056509-A1 HETEROARYL SULFONAMIDES AND CCR2 CCR2, CXCR2, CCR1 CES1 582/4885NR3C2 259/4885APP 3384/4885
US-11706973-B2 Condensed cyclic compound and organic light-emitting device including the same C1S, CCNT1, C9 CES1 1816/4885NR3C2 764/4885APP 1174/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CES1 471/4885NR3C2 390/4885APP 4077/4885
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CES1 471/4885NR3C2 390/4885APP 4077/4885
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 CES1 471/4885NR3C2 390/4885APP 4077/4885

“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.