SCHEMBL1644927

SCHEMBL1644927

CC(C)(C(N)=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.57
TSHR P16473 5/20 0.54
MAPT P10636 4/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 6/20 0.50
LMNA P02545 3/20 0.50
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
MEN1 O00255 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TP53 P04637 1/20 0.47
ACHE P22303 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
SCHEMBL31303067 1.00 PTPRC (0.57) PTPRCTSHRMAPTKMT2AALDH1A1
SCHEMBL4438465 0.94 PTPRC (0.52) PTPRCTSHRMAPTKMT2AALDH1A1
SCHEMBL6622555 0.85 PTPRC (0.59) PTPRCTSHRMAPTKMT2AALDH1A1
SCHEMBL1644964 0.85 PTPRC (0.59) PTPRCTSHRMAPTKMT2AALDH1A1
SCHEMBL1645746 0.85 PTPRC (0.59) PTPRCTSHRMAPTKMT2AALDH1A1
SCHEMBL4656742 0.82 PTPRC (0.52) PTPRCTSHRMAPTKMT2AALDH1A1
SCHEMBL7664781 0.81 PTPRC (0.55) PTPRCTSHRMAPTKMT2AALDH1A1
SCHEMBL15271675 0.81 TSHR (0.54) PTPRCTSHRMAPTKMT2AALDH1A1
SCHEMBL1645915 0.80 PTPRC (0.54) PTPRCTSHRMAPTKMT2AALDH1A1
SCHEMBL6680006 0.80 PTPRC (0.54) PTPRCTSHRMAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024258789-A1 MODULATORS OF CDK2 AND USES THEREOF TRIANA BIOMEDICINES, INC. (US) 2024-12-19 WO disclosed
CN-108383836-B Heterocyclic compounds as MEK inhibitors 鲁宾有限公司 2021-11-12 CN disclosed
EP-2834237-B1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS LUPIN LTD (IN) 2018-06-06 EP disclosed
US-9969731-B2 Heterocyclyl compounds as MEK inhibitors LUPIN LIMITED (IN) 2018-05-15 US disclosed
US-9969731-B2 Heterocyclyl compounds as MEK inhibitors LUPIN LIMITED (IN) 2018-05-15 US disclosed
US-9969731-B2 Heterocyclyl compounds as MEK inhibitors LUPIN LIMITED (IN) 2018-05-15 US disclosed
US-20170101408-A1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS LUPIN LIMITED (IN) 2017-04-13 US disclosed
US-20170101408-A1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS LUPIN LIMITED (IN) 2017-04-13 US disclosed
US-20170101408-A1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS LUPIN LIMITED (IN) 2017-04-13 US disclosed
US-9555035-B2 Heterocyclyl compounds as MEK inhibitors LUPIN LIMITED (IN) 2017-01-31 US disclosed
WO-2013136249-A1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS LUPIN LIMITED (IN) 2013-09-19 WO disclosed
WO-2013135126-A1 RICE TRANSPLANTER-MOUNTED LIQUID REAGENT APPLICATION DEVICE, AND METHOD OF APPLYING LIQUID REAGENT DURING RICE PLANTING USING SAME YAMATO NOHJI CO., LTD. (JP) 2013-09-19 WO disclosed
WO-2013136249-A1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS LUPIN LIMITED (IN) 2013-09-19 WO disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP disclosed
CN-101679410-A 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2010-03-24 CN disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 US disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO disclosed
EP-2097413-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 EP disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 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 (3 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-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 PTPRC 3824/4885TSHR 1951/4885MAPT 1771/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 PTPRC 4362/4885TSHR 2634/4885MAPT 2950/4885
US-20170101408-A1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS NRAS, BRAF, KRAS PTPRC 1067/4885TSHR 3106/4885MAPT 3995/4885

“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.