SCHEMBL1970447

SCHEMBL1970447

O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.67
MEN1 O00255 2/20 0.67
ALDH1A1 P00352 4/20 0.59
MAPK1 P28482 3/20 0.59
HIF1A Q16665 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
TDP1 Q9NUW8 2/20 0.57
GPR35 Q9HC97 2/20 0.55
TP53 P04637 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TXNRD1 Q16881 1/20 0.53
TXNRD3 Q86VQ6 1/20 0.53
TXNRD2 Q9NNW7 1/20 0.53
GUSB P08236 1/20 0.52

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
SCHEMBL19419900 0.90 MEN1 (0.57) KMT2AMEN1ALDH1A1MAPK1HIF1A
SCHEMBL3722506 0.86 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1MAPK1HIF1A
SCHEMBL11589518 0.85 KMT2A (0.68) KMT2AMEN1ALDH1A1MAPK1HIF1A
SCHEMBL11856235 0.85 KIF18A (0.68) KMT2AMEN1ALDH1A1MAPK1HIF1A
SCHEMBL17259 0.85 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1MAPK1HIF1A
SCHEMBL3148717 0.85 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1MAPK1HIF1A
SCHEMBL57260 0.85 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1MAPK1HIF1A
SCHEMBL63183 0.85 KMT2A (0.59) KMT2AMEN1ALDH1A1MAPK1HIF1A
SCHEMBL31294358 0.85 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1MAPK1HIF1A
SCHEMBL1363964 0.85 KMT2A (0.59) KMT2AMEN1ALDH1A1MAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170122954-A1 PROFILING REACTIVE OXYGEN, NITROGEN AND HALOGEN SPECIES ENZO LIFE SCIENCES, INC., C/O ENZO BIOCHEM, INC. (US) 2017-05-04 US claimed
US-20150192564-A1 PROFILING REACTIVE OXYGEN, NITROGEN AND HALOGEN SPECIES ENZO LIFE SCIENCES, INC., C/O ENZO BIOCHEM, INC. (US) 2015-07-09 US claimed
EP-2335052-A1 PROFILING REACTIVE OXYGEN, NITROGEN AND HALOGEN SPECIES Enzo Life Sciences, Inc. (US) 2011-06-22 EP claimed
WO-2010036922-A1 PROFILING REACTIVE OXYGEN, NITROGEN AND HALOGEN SPECIES ENZO LIFE SCIENCES, INC. (US) 2010-04-01 WO claimed
US-20100081159-A1 Profiling reactive oxygen, nitrogen and halogen species ENZO LIFE SCIENCES, INC. C/O ENZO BIOCHEM, INC. 2010-04-01 US claimed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
US-20170122954-A1 PROFILING REACTIVE OXYGEN, NITROGEN AND HALOGEN SPECIES ENZO LIFE SCIENCES, INC., C/O ENZO BIOCHEM, INC. (US) 2017-05-04 US disclosed
US-20150192564-A1 PROFILING REACTIVE OXYGEN, NITROGEN AND HALOGEN SPECIES ENZO LIFE SCIENCES, INC., C/O ENZO BIOCHEM, INC. (US) 2015-07-09 US disclosed
US-8865901-B2 Gain-of-function Bcl-2 inhibitors FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2014-10-21 US disclosed
US-8865901-B2 Gain-of-function Bcl-2 inhibitors FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2014-10-21 US disclosed
US-20120252839-A1 GAIN-OF-FUNCTION BCL-2 INHIBITORS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2012-10-04 US disclosed
US-20120252839-A1 GAIN-OF-FUNCTION BCL-2 INHIBITORS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2012-10-04 US disclosed
EP-2335052-A1 PROFILING REACTIVE OXYGEN, NITROGEN AND HALOGEN SPECIES Enzo Life Sciences, Inc. (US) 2011-06-22 EP disclosed
WO-2011041731-A2 METHOD OF INHIBITING BCL-2-RELATED SURVIVAL PROTEINS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2011-04-07 WO disclosed
WO-2010036922-A1 PROFILING REACTIVE OXYGEN, NITROGEN AND HALOGEN SPECIES ENZO LIFE SCIENCES, INC. (US) 2010-04-01 WO disclosed
US-20100081159-A1 Profiling reactive oxygen, nitrogen and halogen species ENZO LIFE SCIENCES, INC. C/O ENZO BIOCHEM, INC. 2010-04-01 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 (2 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 KMT2A 3471/4885MEN1 3416/4885ALDH1A1 545/4885
US-20120252839-A1 GAIN-OF-FUNCTION BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L2 KMT2A 2897/4885MEN1 1948/4885ALDH1A1 4020/4885

“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.