SCHEMBL6780418

SCHEMBL6780418

CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.61
KMT2A Q03164 9/20 0.61
MEN1 O00255 8/20 0.61
RAB9A P51151 5/20 0.61
NPC1 O15118 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
LMNA P02545 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MITF O75030 1/20 0.56
POLB P06746 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.56
HTT P42858 1/20 0.54
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
ATM Q13315 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
SCHEMBL6974844 0.83 KMT2A (0.62) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL11972987 0.81 LMNA (0.70) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL6781232 0.80 KCNK3 (0.72) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL23898948 0.80 KMT2A (0.83) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL8572381 0.80 KMT2A (0.83) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL9134339 0.80 KMT2A (0.83) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL12436028 0.78 MAPT (0.58) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL8710971 0.78 RAB9A (0.80) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL9137742 0.76 KMT2A (0.71) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL24291388 0.76 MAPT (0.74) MAPTKMT2AMEN1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686467-B2 INHIBITORS OF THE PRODUCTION OF CYTOKINES SUCH AS TUMOUR NECROSIS FACTOR (HEREINAFTER TNF), FOR EXAMPLE TNF ALPHA , AND VARIOUS MEMBERS OF THE INTERLEUKIN (HEREINAFTER IL) FAMILY, FOR EXAMPLE IL-1, IL-6 AND IL-8 ZENECA LIMITED (GB) 2004-02-03 US disclosed
US-20030166730-A1 Amide derivatives for the treatment of diseases mediated by cytokines ZENECA LIMITED 2003-09-04 US disclosed
US-6498274-B1 Amide derivatives for the treatment of diseases mediated by cytokines ZENECA LIMITED (GB) 2002-12-24 US disclosed
EP-1017378-B1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2002-12-11 EP disclosed
EP-1017378-A1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca UK Limited (GB) 2000-07-12 EP disclosed
WO-1999015164-A1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ZENECA LIMITED (GB) 1999-04-01 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 (1 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-20030166730-A1 Amide derivatives for the treatment of diseases mediated by cytokines IL2, IL6, IL6ST MAPT 3738/4885KMT2A 2245/4885MEN1 1738/4885

“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.