SCHEMBL6296295

SCHEMBL6296295

CC(C)c1ccc([N+](=O)[O-])c(N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.58
TSHR P16473 4/20 0.58
MAPT P10636 6/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
HIF1A Q16665 1/20 0.48
SIRT6 Q8N6T7 1/20 0.46
MAPK1 P28482 1/20 0.45
CYP3A4 P08684 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.44
RECQL P46063 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL978898 0.85 TSHR (0.59) TDP1TSHRMAPTALDH1A1LMNA
SCHEMBL4547845 0.82 TSHR (0.55) TDP1TSHRMAPTALDH1A1LMNA
SCHEMBL18562545 0.82 TDP1 (0.50) TDP1TSHRMAPTALDH1A1LMNA
SCHEMBL28847439 0.82 TDP1 (0.50) TDP1TSHRMAPTALDH1A1LMNA
SCHEMBL29947157 0.82 TDP1 (0.50) TDP1TSHRMAPTALDH1A1LMNA
SCHEMBL6234170 0.79 PDK1 (0.44) TDP1TSHRMAPTALDH1A1LMNA
SCHEMBL12381771 0.79 MAPT (0.53) TDP1TSHRMAPTALDH1A1LMNA
SCHEMBL27764339 0.78 MAPT (0.48) TDP1TSHRMAPTALDH1A1LMNA
SCHEMBL9501203 0.78 TSHR (0.58) TDP1TSHRMAPTALDH1A1LMNA
SCHEMBL30811540 0.78 TSHR (0.58) TDP1TSHRMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4543863-A1 FERROPTOSIS INHIBITORS AND USES THEREOF University Of Ottawa (CA) 2025-04-30 EP disclosed
WO-2023245297-A1 FERROPTOSIS INHIBITORS AND USES THEREOF UNIVERSITY OF OTTAWA (CA) 2023-12-28 WO disclosed
WO-2023245297-A1 FERROPTOSIS INHIBITORS AND USES THEREOF UNIVERSITY OF OTTAWA (CA) 2023-12-28 WO disclosed
EP-2791121-B1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2016-08-03 EP disclosed
EP-2791121-A1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-10-22 EP disclosed
US-8524745-B2 Benzisothiazol-3(1H)-one-5-sulfonyl derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2013-09-03 US disclosed
WO-2013090227-A1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-06-20 WO disclosed
US-20130150413-A1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-06-13 US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-20050075390-A1 HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 2005-04-07 US disclosed
US-6852711-B2 Novel dihydropyrones with tethered heterocycles having improved pharmacologic properties which potently inhibit the HIV aspartyl protease blocking HIV infectivity. The dihydropyrones are useful in the development of therapies for AGOURON PHARMACEUTICALS, INC. (US) 2005-02-08 US disclosed
EP-1468688-A2 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments Auckland Uniservices Limited (NZ) 2004-10-20 EP disclosed
US-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2004-09-30 US disclosed
US-20040106606-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2004-06-03 US disclosed
US-6528510-B1 Dihydropyrones with tethered heterocycles; 3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6 -isopropyl-6-(2-pyridin-4-yl-ethyl)-5,6-dihydro-pyran - 2-one; WARNER-LAMBERT COMPANY 2003-03-04 US disclosed
EP-1112269-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP disclosed
WO-2000015634-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO disclosed
US-4185018-A Process for producing benzofurazan-1-oxides CIBA-GEIGY CORPORATION (US) 1980-01-22 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 (5 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-20130029980-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS TDP1 828/4885TSHR 3098/4885MAPT 4531/4885
US-20040106606-A1 HIV protease inhibitors DNPEP, PREP, PEPD TDP1 1159/4885TSHR 4861/4885MAPT 1327/4885
US-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments NPM1, DUOX1, NOX5 TDP1 3004/4885TSHR 4551/4885MAPT 4097/4885
US-20130150413-A1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CCR5, CCR2, CX3CR1 TDP1 4683/4885TSHR 676/4885MAPT 4339/4885
US-20050075390-A1 HIV protease inhibitors DNPEP, PREP, PEPD TDP1 1123/4885TSHR 4861/4885MAPT 1198/4885

“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.