SCHEMBL10574232

SCHEMBL10574232

Cc1c(C)[n+]([O-])c2ccccc2[n+]1[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
CASP6 P55212 1/20 0.44
KDM4E B2RXH2 7/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 7/20 0.39
HBB P68871 3/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 3/20 0.35
ACHE P22303 2/20 0.35

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
SCHEMBL14344280 0.90 KMT2A (0.54) ATMKMT2APOLBMEN1CASP6
SCHEMBL14344274 0.87 ATM (0.41) ATMKMT2APOLBMEN1CASP6
SCHEMBL11687566 0.83 ATM (0.38) ATMKMT2APOLBMEN1CASP6
SCHEMBL11688940 0.81 ATM (0.37) ATMKMT2APOLBMEN1CASP6
SCHEMBL10572445 0.81 KDM4E (0.42) ATMKMT2APOLBMEN1CASP6
SCHEMBL29627789 0.81 ATM (0.63) ATMKMT2APOLBMEN1CASP6
SCHEMBL6919829 0.81 ATM (0.63) ATMKMT2APOLBMEN1CASP6
SCHEMBL11689845 0.79 TSHR (0.40) ATMKMT2APOLBMEN1CASP6
SCHEMBL11635781 0.79 KDM4E (0.38) ATMKMT2APOLBMEN1CASP6
Mequidox SCHEMBL193980 0.79 KMT2A (0.39) ATMKMT2APOLBMEN1CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111825612-B Preparation method of 2, 3-quinoxaline dimethanol-1, 4-dioxide 浦拉司科技(上海)有限责任公司 2021-11-30 CN claimed
CN-111825612-A Preparation method of 2, 3-quinoxaline dimethanol-1, 4-dioxide 浦拉司科技(上海)有限责任公司 2020-10-27 CN claimed
US-11439640-B2 Pharmaceutical composition comprising substance inhibiting enzymatic activity of peroxiredoxin 2 as effective ingredient for treatment of colorectal cancer EWHA University—Industry Collaboration Foundation (KR) 2022-09-13 US disclosed
CN-111825612-B Preparation method of 2, 3-quinoxaline dimethanol-1, 4-dioxide 浦拉司科技(上海)有限责任公司 2021-11-30 CN disclosed
CN-111825612-B Preparation method of 2, 3-quinoxaline dimethanol-1, 4-dioxide 浦拉司科技(上海)有限责任公司 2021-11-30 CN disclosed
CN-111825612-A Preparation method of 2, 3-quinoxaline dimethanol-1, 4-dioxide 浦拉司科技(上海)有限责任公司 2020-10-27 CN disclosed
CN-111825612-A Preparation method of 2, 3-quinoxaline dimethanol-1, 4-dioxide 浦拉司科技(上海)有限责任公司 2020-10-27 CN disclosed
US-7312000-B2 Electrolytic solution for secondary battery and secondary battery containing the same NEC CORPORATION (JP) 2007-12-25 US disclosed
US-4866175-A REACTING BENZOFUROXAN WITH MALONIC ESTER, CYANO(ESTER OR AMIDE), KETO(ESTER OR AMIDE), DIKETONE, MALONONITRILE, OR NITRO COMPOUND RESEARCH CORPORATION (US) 1989-09-12 US disclosed
US-4343942-A BACTERICIDES RESEARCH CORPORATION (US) 1982-08-10 US disclosed
US-4007184-A BACTERICIDE, ANIMAL GROWTH REGULATOR PFIZER INC. (US) 1977-02-08 US disclosed
US-3931174-A BACTERICIDE, GROWTH PROMOTERS PFIZER INC. (US) 1976-01-06 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 (1 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-11439640-B2 Pharmaceutical composition comprising substance inhibiting enzymatic activity of peroxiredoxin 2 as effective ingredient for treatment of colorectal cancer TNKS, TNKS2, PRDX2 ATM 1761/4885KMT2A 3795/4885POLB 889/4885

“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.