SCHEMBL3701094

SCHEMBL3701094

O=[N+]([O-])C(SOSC(c1ccccc1)[N+](=O)[O-])c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.44
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 1/20 0.37
ACP3 P15309 1/20 0.36
CYP2D6 P10635 1/20 0.35
SRC P12931 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ADAM17 P78536 1/20 0.35
MAPK1 P28482 2/20 0.35
APOBEC3G Q9HC16 1/20 0.35
HTT P42858 1/20 0.35
CTSD P07339 1/20 0.34
MGLL Q99685 1/20 0.33
CES2 O00748 1/20 0.33

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
SCHEMBL3701092 0.81 GSR (0.44) GSRKMT2AKDM4EMAPTNPSR1
SCHEMBL6568664 0.78 GSR (0.42) GSRKMT2AKDM4EMAPTNPSR1
SCHEMBL15811785 0.78 GSR (0.42) GSRKMT2AKDM4EMAPTNPSR1
SCHEMBL28852021 0.78 GSR (0.42) GSRKMT2AKDM4EMAPTNPSR1
SCHEMBL5526317 0.78 GSR (0.42) GSRKMT2AKDM4EMAPTNPSR1
SCHEMBL407211 0.73 GSR (0.42) GSRKMT2AKDM4EMAPTNPSR1
SCHEMBL28273523 0.73 GSR (0.39) GSRKMT2AKDM4EMAPTNPSR1
SCHEMBL28360704 0.72 LMNA (0.44) GSRKMT2ALMNACYP2D6SRC
Bromide SCHEMBL4917874 0.72 MAPK1 (0.47) GSRKMT2AKDM4EMAPTNPSR1
SCHEMBL156309 0.70 GSR (0.46) GSRKMT2ALMNAALDH1A1ACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104725628-B A kind of single functionalization branched polyethylene glycol, preparation method and its bio-related substance containing degradable group 厦门赛诺邦格生物科技股份有限公司 2018-04-17 CN claimed
CN-104530417-B A kind of multiple functionalized H types polyethyleneglycol derivative and preparation method thereof 厦门赛诺邦格生物科技股份有限公司 2017-09-08 CN claimed
CN-104530415-B A kind of different functionalization Y types polyethyleneglycol derivative, preparation method and its bio-related substance 厦门赛诺邦格生物科技股份有限公司 2017-09-01 CN claimed
CN-104109235-B A kind of single functionalized poly (ethylene glycol), preparation method and its bio-related substance with nitrogen-atoms branch centers 厦门赛诺邦格生物科技股份有限公司 2017-07-18 CN claimed
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 claimed
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
CN-106967213-B Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2019-11-05 CN disclosed
CN-108530637-A A kind of preparation method of simple function branched polyethylene glycol 厦门赛诺邦格生物科技股份有限公司 2018-09-14 CN disclosed
CN-108530617-A A kind of branched polyethylene glycol Heterobifunctional derivative, preparation method and its two-component bio-related substance conjugate 厦门赛诺邦格生物科技股份有限公司 2018-09-14 CN disclosed
CN-108530636-A A kind of single functionalization branched polyethylene glycol 厦门赛诺邦格生物科技股份有限公司 2018-09-14 CN disclosed
CN-104725628-B A kind of single functionalization branched polyethylene glycol, preparation method and its bio-related substance containing degradable group 厦门赛诺邦格生物科技股份有限公司 2018-04-17 CN disclosed
CN-104877127-B A kind of eight arms polyethyleneglycol derivative, preparation method and its bio-related substance of modification 厦门赛诺邦格生物科技股份有限公司 2017-11-10 CN disclosed
CN-103254893-A Symmetrical double-rhodamine B fluorescent probe for detecting mercury ion and preparation method of fluorescent probe UNIV DONGHUA 2013-08-21 CN disclosed
CN-101460198-B Thermosensitive polyphosphazene-bioactive molecule conjugate, preparation method and application thereof KOREA INST SCI & TECH 2013-08-07 CN disclosed
US-20120121517-A1 BIODEGRADABLE AND THERMOSENSITIVE POLY(ORGANOPHOSPHAZENE)-SUPERPARAMAGNETIC NANOPARTICLE COMPLEX, PREPARATION METHOD AND USE THEREOF Korean Institute of Science and Technology of Seoul, Republic of Korea 2012-05-17 US disclosed
CN-102348708-A Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LTD 2012-02-08 CN 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

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-20120121517-A1 BIODEGRADABLE AND THERMOSENSITIVE POLY(ORGANOPHOSPHAZENE)-SUPERPARAMAGNETIC NANOPARTICLE COMPLEX, PREPARATION METHOD AND USE THEREOF PHOSPHO1, HSPA2, FEM1B GSR 1539/4885KMT2A 1222/4885KDM4E 2925/4885

“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.