SCHEMBL306012

SCHEMBL306012

COC(=O)c1cccc([N+](=O)[O-])c1NC(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 6/20 0.46
TSHR P16473 1/20 0.44
KCNMA1 Q12791 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
P2RX1 P51575 2/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CES2 O00748 1/20 0.41
ACHE P22303 1/20 0.41
CES1 P23141 1/20 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
SCHEMBL28102854 0.85 TSHR (0.51) MEN1KMT2AALDH1A1TSHRKCNMA1
SCHEMBL544031 0.83 KMT2A (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL22499474 0.83 ALDH1A1 (0.50) MEN1KMT2AALDH1A1TSHRPDK1
SCHEMBL30063181 0.81 ATR (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL1421011 0.81 ATR (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL2085072 0.80 TSHR (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL8128216 0.80 KMT2A (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL14347573 0.80 PDGFRB (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL220261 0.80 PDGFRB (0.38) MEN1KMT2AALDH1A1PKMCYP2C9
SCHEMBL5236410 0.80 KCNMA1 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR

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 16 patents. 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
US-8519135-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2013-08-27 US 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
US-20100056509-A1 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX, INC. 2010-03-04 US disclosed
US-20100010035-A1 Novel Dual Action Receptors Antagonists (Dara) at the Ati and Eta Receptors TORRENT PHARMACEUTICALS LTD. (IN) 2010-01-14 US disclosed
US-7622583-B2 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. (US) 2009-11-24 US disclosed
EP-1996588-A1 NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS Torrent Pharmaceuticals Ltd (IN) 2008-12-03 EP disclosed
WO-2008008431-A2 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed
WO-2007100295-A1 NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS TORRENT PHARMACEUTICALS LTD (IN) 2007-09-07 WO 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

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-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 MEN1 4873/4885KMT2A 2475/4885SMN1; SMN2 1898/4885
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 MEN1 4680/4885KMT2A 3284/4885SMN1; SMN2 4160/4885
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 MEN1 4873/4885KMT2A 2475/4885SMN1; SMN2 1898/4885
US-20100056509-A1 HETEROARYL SULFONAMIDES AND CCR2 CCR2, CXCR2, CCR1 MEN1 4873/4885KMT2A 1875/4885SMN1; SMN2 2479/4885
US-20100010035-A1 Novel Dual Action Receptors Antagonists (Dara) at the Ati and Eta Receptors EDNRA, EDNRB, AGTR1 MEN1 1372/4885KMT2A 2602/4885SMN1; SMN2 4868/4885
US-20140031348-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 MEN1 4873/4885KMT2A 2475/4885SMN1; SMN2 1898/4885
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 MEN1 4873/4885KMT2A 2475/4885SMN1; SMN2 1898/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 MEN1 4873/4885KMT2A 2475/4885SMN1; SMN2 1898/4885
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 MEN1 4873/4885KMT2A 2475/4885SMN1; SMN2 1898/4885
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 MEN1 4873/4885KMT2A 2475/4885SMN1; SMN2 1898/4885

“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.