SCHEMBL222384

SCHEMBL222384

CCCOc1ccc([N+](=O)[O-])cc1NC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
CYP19A1 P11511 3/20 0.55
HTT P42858 1/20 0.54
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
ALDH1A1 P00352 3/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 4/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 3/20 0.50
POLB P06746 2/20 0.48
MAPK1 P28482 2/20 0.48
BLM P54132 1/20 0.48
CYP2C9 P11712 1/20 0.47

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
SCHEMBL10661602 0.94 SMN1; SMN2 (0.57) SMN1; SMN2CYP19A1HTTKMT2AMEN1
SCHEMBL11414383 0.93 SMN1; SMN2 (0.59) SMN1; SMN2CYP19A1HTTKMT2AMEN1
SCHEMBL11418328 0.92 RAB9A (0.58) SMN1; SMN2CYP19A1HTTKMT2AMEN1
SCHEMBL11419008 0.92 RAB9A (0.58) SMN1; SMN2CYP19A1HTTKMT2AMEN1
SCHEMBL11650456 0.90 TSHR (0.57) SMN1; SMN2CYP19A1HTTKMT2AMEN1
SCHEMBL5253853 0.89 SMN1; SMN2 (0.64) SMN1; SMN2CYP19A1HTTKMT2AMEN1
SCHEMBL11257538 0.88 SMN1; SMN2 (0.54) SMN1; SMN2CYP19A1HTTKMT2AMEN1
SCHEMBL6151007 0.88 RAB9A (0.58) SMN1; SMN2CYP19A1HTTKMT2AMEN1
SCHEMBL3128740 0.88 MEN1 (0.58) SMN1; SMN2CYP19A1HTTKMT2AMEN1
SCHEMBL6576043 0.88 SMN1; SMN2 (0.54) SMN1; SMN2CYP19A1HTTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120063996-A1 NOVEL NIMESULIDE COMPOSITIONS ELAN PHARMA INTERNATIONAL LTD. 2012-03-15 US claimed
US-20090312433-A1 TREATMENT OF VR1-ANTAGONIST-INDUCED INCREASE IN BODY TEMPERATURE WITH AN ANTIPYRETIC AGENT AMGEN INC. 2009-12-17 US claimed
EP-1617816-B1 NANOPARTICULATE MELOXICAN FORMULATIONS ELAN PHARMA INT LTD (IE) 2009-05-13 EP claimed
EP-1938803-A2 Formulations comprising nanoparticulate meloxican Elan Pharma International Limited (IE) 2008-07-02 EP claimed
EP-1885348-A2 ANTIPYRETIC AGENTS AGAINST VR1-ANTAGONIST-INDUCED INCREASES IN BODY TEMPERATURE Amgen, Inc (US) 2008-02-13 EP claimed
US-20060281718-A1 Treatment of VR1-antagonist-induced increase in body temperature with an antipyretic agent AMGEN INC. 2006-12-14 US claimed
EP-1480624-B1 PHARMACEUTICAL TABLET PHARMACIA CORP (US) 2006-11-29 EP claimed
WO-2006124753-A2 ANTIPYRETIC AGENTS AGAINST VR1-ANTAGONIST-INDUCED INCREASES IN BODY TEMPERATURE AMGEN INC. (US) 2006-11-23 WO claimed
EP-1471890-B1 PHARMACEUTICAL DOSAGE FORM FOR MUCOSAL DELIVERY PHARMACIA CORP (US) 2006-09-27 EP claimed
EP-1608407-B1 DISPERSIBLE FORMULATION OF AN ANTI-INFLAMMATORY AGENT PHARMACIA CORP (US) 2006-08-30 EP claimed
US-20040235803-A1 Dispersible formulation of an anti-inflammatory agent PHARMACIA & UPJOHN COMPANY 2004-11-25 US claimed
US-20040229038-A1 Nanoparticulate meloxicam formulations ELAN PHARMA INTERNATIONAL LTD. 2004-11-18 US claimed
US-20040214753-A1 Dispersible pharmaceutical composition for treatment of mastitis and otic disorders PHARMACIA & UPJOHN COMPANY 2004-10-28 US claimed
WO-2004082719-A1 DISPERSIBLE PHARMACEUTICAL COMPOSITION FOR TREATMENT OF MASTITIS AND OTIC DISORDERS PHARMACIA CORPORATION (US) 2004-09-30 WO claimed
WO-2004082588-A2 DISPERSIBLE FORMULATION OF AN ANTI-INFLAMMATORY AGENT PHARMACIA CORPORATION (US) 2004-09-30 WO claimed
US-20040156872-A1 Novel nimesulide compositions ELAN PHARMA INTERNATIONAL LTD. 2004-08-12 US claimed
US-20030235617-A1 Pharmaceutical dosage form for mucosal delivery MCNEIL-PPC, INC 2003-12-25 US claimed
US-20030180357-A1 Pharmaceutical tablet MCNEIL-PPC, INC 2003-09-25 US claimed
EP-1073470-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2001-02-07 EP claimed
WO-2000048636-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2000-08-24 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20040235803-A1 Dispersible formulation of an anti-inflammatory agent TNF, LTB4R2, LTA SMN1; SMN2 3276/4885CYP19A1 2752/4885HTT 3205/4885
US-20040156872-A1 Novel nimesulide compositions NIM1K, NIT2, NCL SMN1; SMN2 136/4885CYP19A1 3186/4885HTT 833/4885
US-20030180357-A1 Pharmaceutical tablet GYPA, SORD, SRI SMN1; SMN2 2397/4885CYP19A1 2959/4885HTT 958/4885
US-20120063996-A1 NOVEL NIMESULIDE COMPOSITIONS NIM1K, NIT2, NCL SMN1; SMN2 136/4885CYP19A1 3186/4885HTT 833/4885
US-20090312433-A1 TREATMENT OF VR1-ANTAGONIST-INDUCED INCREASE IN BODY TEMPERATURE WITH AN ANTIPYRETIC AGENT VRK1, VIPR1, AVPR1A SMN1; SMN2 3787/4885CYP19A1 1246/4885HTT 3538/4885
US-20030235617-A1 Pharmaceutical dosage form for mucosal delivery SI, UGGT1, GYPA SMN1; SMN2 4221/4885CYP19A1 1567/4885HTT 2028/4885
US-20060281718-A1 Treatment of VR1-antagonist-induced increase in body temperature with an antipyretic agent VRK1, VIPR1, AVPR1A SMN1; SMN2 3787/4885CYP19A1 1246/4885HTT 3538/4885
US-20040214753-A1 Dispersible pharmaceutical composition for treatment of mastitis and otic disorders OTC, AQP3, AQP1 SMN1; SMN2 2371/4885CYP19A1 1271/4885HTT 3104/4885

“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.