SCHEMBL7913239

SCHEMBL7913239

Cc1ccc([N+](=O)[O-])c(C(=O)NCC2(C)NC(=O)NC2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 3/20 0.44
ADAMTS4 O75173 2/20 0.44
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
ADAM17 P78536 2/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
ADAMTS7 Q9UKP4 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 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
SCHEMBL7899962 0.86 ADAMTS4 (0.46) ADAMTS5ADAMTS4MMP2MMP3MMP12
SCHEMBL999490 0.72 CTSD (0.61) ALDH1A1MAPTHPGDCYP3A4TSHR
SCHEMBL3247075 0.71 ADAMTS5 (0.48) ADAMTS5ADAMTS4MMP2MMP3MMP12
SCHEMBL28395903 0.70 TSHR (0.62) ALDH1A1MAPTCYP3A4TSHRSLC6A2
SCHEMBL12609468 0.70 LMNA (0.53) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL23354303 0.69 ADAMTS5 (0.51) ADAMTS5ADAMTS4MMP2MMP3MMP12
SCHEMBL4304944 0.68 TSHR (0.58) ALDH1A1MAPTHPGDCYP3A4TSHR
SCHEMBL29935450 0.66 DTYMK (0.62) ALDH1A1MAPTCYP3A4TSHRL3MBTL1
SCHEMBL149316 0.66 DTYMK (0.62) ALDH1A1MAPTCYP3A4TSHRL3MBTL1
SCHEMBL1277039 0.66 TSHR (0.60) ALDH1A1MAPTHPGDCYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879890-B2 hydantoin derivatives that can inhibit matrix metalloproteinases and tumor necrosis factor alpha-converting enzyme, to prevent the release of tumor necrosis factor; treatment of septic shock, reperfusion injuries, meningitis, psoriasis, arthritis, inflammatory bowel disease and ankylosing spondylitis SCHERING CORPORATION (US) 2011-02-01 US disclosed
US-7687527-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-03-30 US disclosed
US-7683085-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-03-23 US disclosed
US-20090170875-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-07-02 US disclosed
US-20090137586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-05-28 US disclosed
US-20090111803-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-04-30 US disclosed
US-7504424-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-7488745-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-02-10 US disclosed
US-7482370-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-01-27 US disclosed
US-20070219218-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-09-20 US disclosed
US-20060276506-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-12-07 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 (5 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-20090111803-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 ADAMTS5 13/4885ADAMTS4 19/4885MMP2 33/4885
US-20070219218-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 ADAMTS5 4/4885ADAMTS4 7/4885MMP2 30/4885
US-20090170875-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 ADAMTS5 4/4885ADAMTS4 7/4885MMP2 30/4885
US-20090137586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 ADAMTS5 4/4885ADAMTS4 7/4885MMP2 30/4885
US-20060276506-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 ADAMTS5 4/4885ADAMTS4 7/4885MMP2 30/4885

“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.