SCHEMBL5360504

SCHEMBL5360504

O=S(=O)(O)C=NNc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 0.48
MAPT P10636 10/20 0.46
GAA P10253 10/20 0.46
KMT2A Q03164 9/20 0.46
MEN1 O00255 8/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 4/20 0.46
GFER P55789 2/20 0.46
SMN1; SMN2 Q16637 7/20 0.45
TDP1 Q9NUW8 2/20 0.45
RAB9A P51151 6/20 0.44
NPC1 O15118 4/20 0.44
KDM4E B2RXH2 4/20 0.44
POLB P06746 2/20 0.44
HSP90AA1 P07900 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL9529534 0.77 HTT (0.48) MAPTKMT2AMEN1SMN1; SMN2RAB9A
Sulfuric Acid SCHEMBL8745492 0.72 ACP1 (0.44) NOX1MAPTGAAKMT2AMEN1
SCHEMBL9841099 0.72 ACP1 (0.44) NOX1MAPTGAAKMT2AMEN1
SCHEMBL1062674 0.71 NOX1 (0.52) NOX1MAPTGAAKMT2AMEN1
SCHEMBL6420581 0.71 NOX1 (0.52) NOX1MAPTGAAKMT2AMEN1
SCHEMBL16111932 0.71 NOX1 (0.62) NOX1MAPTGAAKMT2AMEN1
SCHEMBL13109406 0.71 NOX1 (0.62) NOX1MAPTGAAKMT2AMEN1
SCHEMBL16111930 0.71 NOX1 (0.62) NOX1MAPTGAAKMT2AMEN1
SCHEMBL11023309 0.71 MEN1 (0.43) NOX1MAPTGAAKMT2AMEN1
SCHEMBL14294534 0.68 NOX1 (0.54) NOX1MAPTGAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199129-B2 Derivatives of morphine-like opioid compounds MONASH UNIVERSITY (AU) 2007-04-03 US disclosed
EP-1423392-B1 DERIVATIVES OF MORPHINE-LIKE OPIOID COMPOUNDS NEURO THERAPEUTICS LTD (AU) 2006-10-04 EP disclosed
US-20040242616-A1 Derivatives of morphine-like opioid compounds NEURO THERAPEUTICS LIMITED (AU) 2004-12-02 US disclosed
EP-1423392-A4 DERIVATIVES OF MORPHINE-LIKE OPIOID COMPOUNDS POLYCHIP PHARMACEUTICALS PTY (AU) 2004-11-17 EP disclosed
EP-1423392-A1 DERIVATIVES OF MORPHINE-LIKE OPIOID COMPOUNDS Polychip Pharmaceuticals Pty. Ltd. (AU) 2004-06-02 EP disclosed
WO-2003014122-A1 DERIVATIVES OF MORPHINE-LIKE OPIOID COMPOUNDS POLYCHIP PHARMACEUTICALS PTY LTD (AU) 2003-02-20 WO disclosed
US-5998399-A Guanidine derivatives useful in therapy as inhibitors of nitric oxide synthetase ASTRA AKTIEBOLAG (SE) 1999-12-07 US disclosed
US-5908863-A ANTIGROWTH AGENT FOR BONES DOMPE' S.P.A. (IT) 1999-06-01 US disclosed
EP-0690851-B1 GUANIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AB (SE) 1999-05-19 EP disclosed
US-5885985-A Guanidine derivatives useful in therapy ASTRA AKTIEBOLAG (SE) 1999-03-23 US disclosed
EP-0792878-A2 Geminal carboxylic acids and esters thereof, pharmaceutical formulations containing them useful in the treatment of bone dysmetabolism Dompé S.P.A. (IT) 1997-09-03 EP disclosed
EP-0690851-A1 GUANIDINE DERIVATIVES USEFUL IN THERAPY Astra Aktiebolag (SE) 1996-01-10 EP disclosed
WO-1994021621-A1 GUANIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AKTIEBOLAG (SE) 1994-09-29 WO disclosed
EP-0248586-B1 PROCESS FOR PRODUCING AMIDINE SULFONIC ACID INTERMEDIATES FOR GUANIDINES McNeilab, Inc. (US) 1993-08-25 EP disclosed
EP-0248586-A2 Process for producing amidine sulfonic acid intermediates for guanidines McNeilab, Inc. (US) 1987-12-09 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-20040242616-A1 Derivatives of morphine-like opioid compounds OPRM1, OPRK1, OPRD1 NOX1 2971/4885MAPT 80/4885GAA 2772/4885

“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.