SCHEMBL3701092

SCHEMBL3701092

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.44
LMNA P02545 3/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 1/20 0.40
SRC P12931 2/20 0.39
CYP2D6 P10635 1/20 0.39
ACP3 P15309 1/20 0.39
MAPK1 P28482 2/20 0.38
NPC1 O15118 1/20 0.38
ADAM17 P78536 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37

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
SCHEMBL28360704 0.85 LMNA (0.44) GSRLMNAKMT2ASRCCYP2D6
SCHEMBL6568664 0.83 GSR (0.42) GSRLMNAALDH1A1KDM4EMAPT
SCHEMBL28852021 0.83 GSR (0.42) GSRLMNAALDH1A1KDM4EMAPT
SCHEMBL15811785 0.83 GSR (0.42) GSRLMNAALDH1A1KDM4EMAPT
SCHEMBL5526317 0.83 GSR (0.42) GSRLMNAALDH1A1KDM4EMAPT
SCHEMBL3701094 0.81 GSR (0.44) GSRLMNAALDH1A1KDM4EMAPT
SCHEMBL407211 0.78 GSR (0.42) GSRLMNAALDH1A1KDM4EMAPT
Bromide SCHEMBL4917874 0.77 MAPK1 (0.47) GSRKDM4EMAPTNPSR1TDP1
SCHEMBL156309 0.74 GSR (0.46) GSRLMNAALDH1A1KMT2ASRC
Benzene SCHEMBL27929647 0.74 GSR (0.46) GSRLMNAALDH1A1KMT2ASRC

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 13 patents. 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
US-9017726-B2 Biodegradable and thermosensitive poly(organophosphazene)-superparamagnetic nanoparticle complex, preparation method and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-04-28 US disclosed
US-20140031289-A1 POLY(ORGANOPHOSPHAZENE) CONTAINING DEGRADATION CONTROLLABLE IONIC GROUP, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-01-30 US 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
WO-2003053845-A2 CHEMICAL FUNCTIONALIZATION NANOLITHOGRAPHY PENN STATE RESEARCH FOUNDATION (US) 2003-07-03 WO disclosed
EP-0185762-B1 CELL-DELIVERY AGENT DANA-FARBER CANCER INSTITUTE, INC. (US) 1991-03-13 EP disclosed
EP-0185762-A4 CELL-DELIVERY AGENT. DANA FARBER CANCER INST INC (US) 1986-12-01 EP disclosed
US-4625014-A Cell-delivery agent DANA-FARBER CANCER INSTITUTE, INC. (US) 1986-11-25 US disclosed
EP-0185762-A1 CELL-DELIVERY AGENT. DANA FARBER CANCER INST INC (US) 1986-07-02 EP disclosed
WO-1986000527-A1 CELL-DELIVERY AGENT DANA-FARBER CANCER INSTITUTE, INC. (US) 1986-01-30 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 (2 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 1539/4885LMNA 4134/4885ALDH1A1 4557/4885
US-20140031289-A1 POLY(ORGANOPHOSPHAZENE) CONTAINING DEGRADATION CONTROLLABLE IONIC GROUP, PREPARATION METHOD THEREOF AND USE THEREOF PHOSPHO1, PLCB3, INPP5D GSR 1486/4885LMNA 3315/4885ALDH1A1 4053/4885

“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.