SCHEMBL4435969

SCHEMBL4435969

COc1ccc2cc([C@H](C)C(=O)Oc3ccc(CO[N+](=O)[O-])nc3C)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
PTGS2 P35354 6/20 0.45
PTGS1 P23219 2/20 0.45
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
CDC42 P60953 1/20 0.45
RAC1 P63000 1/20 0.45
CYP1A2 P05177 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
RIOK2 Q9BVS4 1/20 0.40

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
SCHEMBL6141911 0.91 TDP1 (0.46) TDP1L3MBTL1TSHRLMNAMAPT
Hydrochloric Acid SCHEMBL1245397 0.84 CNR2 (0.34) LMNACYP2C9CYP1A2
Nitric Acid SCHEMBL1246015 0.83 CNR2 (0.34) LMNACYP2C9CYP1A2
SCHEMBL5500758 0.82 TDP1 (0.51) TDP1L3MBTL1TSHRLMNAMAPT
SCHEMBL5495433 0.79 PTGS1 (0.47) TSHRLMNAMAPTCYP2C9PTGS2
SCHEMBL6141910 0.78 TDP1 (0.47) TDP1L3MBTL1TSHRLMNAMAPT
SCHEMBL13730948 0.77 TSHR (0.56) TDP1L3MBTL1TSHRLMNAMAPT
SCHEMBL4426384 0.77 TDP1 (0.50) TDP1L3MBTL1TSHRLMNAMAPT
SCHEMBL19719468 0.76 PTGS2 (0.60) TDP1L3MBTL1TSHRLMNAMAPT
SCHEMBL219372 0.76 TDP1 (0.53) TDP1L3MBTL1TSHRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010458-A1 Drugs for the arthritis treatment NICOX S.A. (FR) 2007-01-11 US claimed
EP-1492543-A1 DRUGS FOR THE ARTHRITIS TREATMENT Nicox S.A. (FR) 2005-01-05 EP claimed
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2004-02-05 US claimed
WO-2004000300-A1 CYCLOOXYGENASE-2 INHIBITORS NICOX S.A. (FR) 2003-12-31 WO claimed
WO-2003084550-A1 DRUGS FOR THE ARTHRITIS TREATMENT NICOX S.A. (FR) 2003-10-16 WO claimed
EP-1339665-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS Nicox S.A. (FR) 2003-09-03 EP claimed
WO-2002030866-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. (FR) 2002-04-18 WO claimed
US-7629368-B2 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2009-12-08 US disclosed
US-20090075952-A1 NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. 2009-03-19 US disclosed
US-7465803-B2 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2008-12-16 US disclosed
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. 2008-08-14 US disclosed
US-20070010458-A1 Drugs for the arthritis treatment NICOX S.A. (FR) 2007-01-11 US disclosed
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2004-02-05 US disclosed
WO-2004000300-A1 CYCLOOXYGENASE-2 INHIBITORS NICOX S.A. (FR) 2003-12-31 WO disclosed
EP-1339665-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS Nicox S.A. (FR) 2003-09-03 EP disclosed
WO-2002030866-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. (FR) 2002-04-18 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 (4 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-20090075952-A1 NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR0B1, NOX1 TDP1 2375/4885L3MBTL1 1936/4885TSHR 3288/4885
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR2E1, CYP2E1 TDP1 2459/4885L3MBTL1 1667/4885TSHR 1828/4885
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis TPMT, NOX1, CBR1 TDP1 987/4885L3MBTL1 1568/4885TSHR 599/4885
US-20070010458-A1 Drugs for the arthritis treatment PTGS1, ADORA2B, PTGS2 TDP1 4214/4885L3MBTL1 3438/4885TSHR 2942/4885

“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.