SCHEMBL3386571

SCHEMBL3386571

CCSc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 4/20 0.53
MAPT P10636 4/20 0.53
TDP1 Q9NUW8 3/20 0.53
LMNA P02545 3/20 0.53
GAA P10253 2/20 0.53
ALPG P10696 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PDE7A Q13946 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 1/20 0.48
CRBN Q96SW2 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
APOBEC3G Q9HC16 2/20 0.45
PKM P14618 1/20 0.45
KDM4A O75164 1/20 0.45
TDP2 O95551 1/20 0.45

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
SCHEMBL9539174 0.86 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL7764834 0.85 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL7293883 0.82 PDE7A (0.53) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL8973221 0.82 PTGS2 (0.49) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL9538701 0.82 GPR35 (0.58) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL11453241 0.82 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL14113991 0.81 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL1347642 0.81 PTGS2 (0.49) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL18614898 0.81 PDE7A (0.51) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL7293896 0.81 PDE7A (0.51) MEN1KMT2AALDH1A1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104530417-A Multifunctional H-type polyethylene glycol derivative and preparation method thereof XIAMEN SINOPEG BIOTECH INC 2015-04-22 CN claimed
CN-104530415-A Hetero-functionalized Y-type polyethylene glycol derivative, preparation method and biologically related substance thereof XIAMEN SINOPEG BIOTECH INC 2015-04-22 CN claimed
CN-104109235-A Mono-functionalized polyethylene glycol with nitrogen atom branched center and its preparation method and biologically-relevant matter XIAMEN SINOPEG BIOTECH CO LTD 2014-10-22 CN claimed
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2022-05-10 US disclosed
EP-3746509-A1 BUGPHOBIC AND ICEPHOBIC COMPOSITIONS WITH FLUID ADDITIVES HRL Laboratories, LLC (US) 2020-12-09 EP disclosed
EP-3645655-A1 POLYMER LIQUID COMPOSITES FOR IMPROVED ANTI-FOULING PERFORMANCE HRL Laboratories, LLC (US) 2020-05-06 EP disclosed
WO-2019152081-A1 BUGPHOBIC AND ICEPHOBIC COMPOSITIONS WITH FLUID ADDITIVES HRL LABORATORIES, LLC (US) 2019-08-08 WO disclosed
WO-2019005272-A1 POLYMER–LIQUID COMPOSITES FOR IMPROVED ANTI-FOULING PERFORMANCE HRL LABORATORIES, LLC (US) 2019-01-03 WO disclosed
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 US disclosed
US-9188862-B2 Actinic ray-sensitive or radiation-sensitive resin composition, and, actinic ray-sensitive or radiation-sensitive film and pattern forming method, each using the same FUJIFILM CORPORATION (JP) 2015-11-17 US disclosed
CN-104725628-A Single functional branched polyethylene glycol containing degradable radical, preparation method and biorelevant substance of single functional branched polyethylene glycol XIAMEN SINOPEG BIOTECH CO LTD 2015-06-24 CN disclosed
US-8367871-B2 Process for production of optically active sulfoxide compound using iron-salan complex catalyst NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-02-05 US disclosed
CN-102898464-A Photosensitive group-protected functional group phosphoramidite and its preparation method and use UNIV BEIJING 2013-01-30 CN disclosed
US-20100094037-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE SULFOXIDE COMPOUND USING IRON-SALAN COMPLEX CATALYST NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-15 US disclosed
CN-101460198-A Thermosensitive polyphosphazene-bioactive molecule conjugate, preparation method and application thereof KOREA INST SCI & TECH (KR) 2009-06-17 CN disclosed
CN-101360513-A Biodegradable and thermosensitive poly(organophosphazene) hydrogel, preparation method thereof and use thereof KOREA INST SCI & TECH (KR) 2009-02-04 CN disclosed
EP-0335274-B1 Formation of nitrophenyl ethers from polyols and nitroanisoles DOW CHEMICAL CO (US) 1996-03-13 EP disclosed
US-4960950-A Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1990-10-02 US disclosed
EP-0335274-A2 Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1989-10-04 EP disclosed
EP-0061082-A1 Process for the preparation of 2,3-dihydro-4H-1,4-benzothiazines BAYER AG (DE) 1982-09-29 EP 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-20100094037-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE SULFOXIDE COMPOUND USING IRON-SALAN COMPLEX CATALYST SCLY, SFXN1, SQOR MEN1 2026/4885KMT2A 3073/4885ALDH1A1 138/4885
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor HDGF, F11, F12 MEN1 1056/4885KMT2A 3974/4885ALDH1A1 1582/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 MEN1 1056/4885KMT2A 3974/4885ALDH1A1 1582/4885

“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.