SCHEMBL6534916

SCHEMBL6534916

O=[N+]([O-])c1ccccc1S(=O)(=O)n1cccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
ALDH1A1 P00352 2/20 0.59
PKM P14618 1/20 0.55
POLB P06746 3/20 0.54
LMNA P02545 2/20 0.54
ACHE P22303 1/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP13 P45452 1/20 0.53
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MET P08581 1/20 0.52
NPC1 O15118 1/20 0.49

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
SCHEMBL2361629 0.81 GAA (0.52) KMT2AMEN1ALDH1A1PKMPOLB
SCHEMBL2360974 0.79 ALDH1A1 (0.84) KMT2AMEN1ALDH1A1PKMPOLB
SCHEMBL2039879 0.77 KMT2A (1.00) KMT2AMEN1ALDH1A1PKMPOLB
SCHEMBL11566827 0.77 KMT2A (1.00) KMT2AMEN1ALDH1A1PKMPOLB
SCHEMBL30446303 0.77 KMT2A (1.00) KMT2AMEN1ALDH1A1PKMPOLB
SCHEMBL4070583 0.76 ALDH1A1 (0.69) KMT2AMEN1ALDH1A1PKMPOLB
SCHEMBL5347059 0.76 ALDH1A1 (0.97) KMT2AMEN1ALDH1A1PKMPOLB
SCHEMBL237684 0.75 KMT2A (0.73) KMT2AMEN1ALDH1A1PKMPOLB
SCHEMBL18794812 0.75 ALDH1A1 (0.69) KMT2AMEN1ALDH1A1PKMPOLB
SCHEMBL28137833 0.75 ALDH1A1 (1.00) KMT2AMEN1ALDH1A1PKMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910383-B1 BENZODIAZEPINE DERIVATIVES AND USES THEREOF IN MEDICAL FIELD UNIV ROMA (IT) 2009-09-16 EP disclosed
US-20080249080-A1 Benzodiazepine Derivatives and Uses Thereof on Medical Field UNIVERSITA' DEGLI STUDI DI ROMA,,TOR VERGATA" (IT) 2008-10-09 US disclosed
US-20080249080-A1 Benzodiazepine Derivatives and Uses Thereof on Medical Field UNIVERSITA' DEGLI STUDI DI ROMA,,TOR VERGATA" (IT) 2008-10-09 US disclosed
WO-2007015280-A1 BENZODIAZEPINE DERIVATIVES AND USES THEREOF IN MEDICAL FIELD UNIVERSITA' DEGLI STUDI DI ROMA 'TOR VERGATA' (IT) 2007-02-08 WO disclosed
EP-1011652-A4 NOVEL DIARYLSULFONE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS UNIV THE SCIENCES IN PHILADELP (US) 2004-12-22 EP disclosed
US-6303630-B1 TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTION BYADMINISTERING TO A HUMAN DIARYLSULFONE COMPOUND UNIVERSITY OF THE SCIENCES IN PHILADELPHIA 2001-10-16 US disclosed
EP-1011652-A1 NOVEL DIARYLSULFONE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS University of the Sciences in Philadelphia (US) 2000-06-28 EP disclosed
US-6063790-A TREATMENT OF AIDS UNIVERSITY OF THE SCIENCES IN PHILADELPHIA (US) 2000-05-16 US disclosed
WO-1999006037-A1 NOVEL DIARYLSULFONE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS UNIVERSITY OF THE SCIENCES IN PHILADELPHIA (US) 1999-02-11 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-20080249080-A1 Benzodiazepine Derivatives and Uses Thereof on Medical Field CNR1, CNR2, CBR3 KMT2A 2396/4885MEN1 3141/4885ALDH1A1 2241/4885

“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.