SCHEMBL4252659

SCHEMBL4252659

O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCOCCO[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 3/20 0.60
▸ CYP2C9 P11712 2/20 0.60
▸ USP2 O75604 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ TBXA2R P21731 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ PTGS2 P35354 5/20 0.54
▸ PTGS1 P23219 2/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ AKR1C3 P42330 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ AKR1B10 O60218 1/20 0.53
▸ UGT1A9 O60656 1/20 0.53
▸ TRPA1 O75762 1/20 0.53
▸ ABCB11 O95342 1/20 0.53
▸ MT-CO2 P00403 1/20 0.53

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
SCHEMBL27637963 1.00 TTR (0.60) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL8646851 0.93 TTR (0.65) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL3332430 0.90 TTR (0.61) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL5605812 0.90 TTR (0.61) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL5605274 0.89 TTR (0.60) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL12106522 0.88 TTR (0.58) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL8641582 0.87 TTR (0.63) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL8646189 0.87 TTR (0.63) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL13240140 0.86 TTR (0.56) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL6950571 0.85 TTR (0.67) TTRCYP2C9USP2LMNATBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691869-B2 Pharmaceutical formulation of nitrooxyderivatives of NSAIDs NICOX S.A. (FR) 2014-04-08 — — US disclosed
US-20090203759-A1 PHARMACEUTICAL FORMULATION OF NITROOXYDERIVATIVES OF NSAIDS NICOX SA (FR) 2009-08-13 — — US disclosed
US-20090096314-A1 ELECTRIC MOTOR HONDA MOTOR CO., LTD. (JP) 2009-04-16 — — US disclosed
US-20070010458-A1 Drugs for the arthritis treatment NICOX S.A. (FR) 2007-01-11 — — US disclosed
US-20060122402-A1 Manufacturing process for no-donating compounds such as no-donating diclofenac NICOX SA (FR) 2006-06-08 — — 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 (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-20090203759-A1 PHARMACEUTICAL FORMULATION OF NITROOXYDERIVATIVES OF NSAIDS FASN, PTGS1, NOS2 TTR 1495/4885CYP2C9 123/4885USP2 1533/4885
US-20060122402-A1 Manufacturing process for no-donating compounds such as no-donating diclofenac NOS2, NOS1, NOS3 TTR 2002/4885CYP2C9 10/4885USP2 1318/4885
US-20070010458-A1 Drugs for the arthritis treatment PTGS1, ADORA2B, PTGS2 TTR 693/4885CYP2C9 98/4885USP2 3595/4885

“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.

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