SCHEMBL6429172

SCHEMBL6429172

CC1(SN=O)CCN(CCCOC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 3/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TBXA2R P21731 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ PTGS2 P35354 5/20 0.44
▸ PTGS1 P23219 2/20 0.43
▸ AKR1B10 O60218 1/20 0.43
▸ UGT1A9 O60656 1/20 0.43
▸ TRPA1 O75762 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ MT-CO2 P00403 1/20 0.43
▸ ALB P02768 1/20 0.43
▸ CXCL8 P10145 1/20 0.43
▸ UGT1A6 P19224 1/20 0.43
▸ UGT1A1 P22309 1/20 0.43
▸ CXCR1 P25024 1/20 0.43
▸ ADRA1A P35348 1/20 0.43

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
SCHEMBL6949365 0.95 TTR (0.51) TTRCYP2C9USP2LMNATBXA2R
Hydrochloric Acid SCHEMBL6429096 0.94 TTR (0.50) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL20820733 0.83 TTR (0.59) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL6947041 0.81 TTR (0.55) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL6941753 0.81 TTR (0.51) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL6429312 0.80 TTR (0.46) TTRCYP2C9USP2LMNATBXA2R
Hydrochloric Acid SCHEMBL7152996 0.77 TTR (0.53) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL7748998 0.77 TTR (0.50) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL6429039 0.76 TTR (0.47) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL13109329 0.75 TTR (0.68) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126838-A4 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2005-02-16 — — EP claimed
US-20030207919-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2003-11-06 — — US claimed
US-6593347-B2 Especially a nitrosated and/or nitrosylated arylpropionic acid, arylacetic acid, enolic anilide or an oxicam NITROMED, INC. 2003-07-15 — — US claimed
JP-2002528495-A — — 2002-09-03 — — JP claimed
US-20020016322-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositons and methods of use NICOX S.A. (FR) 2002-02-07 — — US claimed
US-6297260-B1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED, INC. 2001-10-02 — — US claimed
EP-1126838-A1 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-08-29 — — EP claimed
WO-2000025776-A1 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-05-11 — — WO claimed
EP-1126838-A4 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2005-02-16 — — EP disclosed
US-20030207919-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2003-11-06 — — US disclosed
US-6593347-B2 Especially a nitrosated and/or nitrosylated arylpropionic acid, arylacetic acid, enolic anilide or an oxicam NITROMED, INC. 2003-07-15 — — US disclosed
US-20020016322-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositons and methods of use NICOX S.A. (FR) 2002-02-07 — — US disclosed
US-6297260-B1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED, INC. 2001-10-02 — — US disclosed
EP-1126838-A1 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-08-29 — — EP disclosed
WO-2000025776-A1 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-05-11 — — 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-20020016322-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositons and methods of use NOS2, NOS3, NOS1 TTR 129/4885CYP2C9 81/4885USP2 2602/4885
US-20030207919-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use NOS2, NOS1, NOS3 TTR 1206/4885CYP2C9 113/4885USP2 2663/4885

“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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