SCHEMBL3110585

SCHEMBL3110585

COc1cccc(F)c1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 5/20 0.57
▸ ALDH1A1 P00352 7/20 0.55
▸ DNMT1 P26358 1/20 0.49
▸ DNMT3A Q9Y6K1 1/20 0.49
▸ SLC25A1 P53007 1/20 0.49
▸ POLB P06746 1/20 0.47
▸ LMNA P02545 6/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ HTT P42858 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ THRB P10828 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ FFAR4 Q5NUL3 1/20 0.46
▸ MAPK1 P28482 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL3611184 0.82 ALDH1A1 (0.80) VCAM1ALDH1A1DNMT1DNMT3ASLC25A1
SCHEMBL6675755 0.82 ALDH1A1 (0.64) VCAM1ALDH1A1DNMT1DNMT3APOLB
SCHEMBL28746841 0.79 ALDH1A1 (0.60) VCAM1ALDH1A1DNMT1DNMT3ASLC25A1
SCHEMBL3102958 0.78 VCAM1 (0.55) VCAM1ALDH1A1POLBLMNAKMT2A
SCHEMBL6678848 0.78 LMNA (0.67) VCAM1ALDH1A1POLBLMNAMEN1
SCHEMBL27793353 0.77 VCAM1 (0.54) VCAM1ALDH1A1DNMT1DNMT3ASLC25A1
SCHEMBL8113261 0.76 MAPT (0.62) VCAM1ALDH1A1DNMT1DNMT3ASLC25A1
SCHEMBL6681330 0.75 ALDH1A1 (0.59) VCAM1ALDH1A1DNMT1DNMT3ASLC25A1
SCHEMBL6677229 0.75 VCAM1 (0.60) VCAM1ALDH1A1DNMT1DNMT3APOLB
SCHEMBL686821 0.74 VCAM1 (1.00) VCAM1ALDH1A1DNMT1DNMT3ASLC25A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2143724-B1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL (JP) 2013-12-11 — — EP disclosed
US-8217069-B2 Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-10 — — US disclosed
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD (JP) 2010-05-06 — — US disclosed
EP-2143724-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2010-01-13 — — EP 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-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES NR5A1, SHBG, GNRHR VCAM1 3398/4885ALDH1A1 3357/4885DNMT1 3403/4885

“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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