SCHEMBL4908007

SCHEMBL4908007

CSSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
ACHE P22303 1/20 0.52
MAPT P10636 5/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 6/20 0.47
RECQL P46063 1/20 0.47
MAPK1 P28482 3/20 0.45
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CES1 P23141 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL223594 0.86 MEN1 (0.59) HSD17B10ACHEMAPTMEN1KMT2A
SCHEMBL514483 0.82 HSD17B10 (0.56) HSD17B10ACHEMAPTMEN1KMT2A
SCHEMBL5026213 0.81 ACHE (0.75) HSD17B10ACHEMAPTMEN1KMT2A
SCHEMBL8531165 0.81 ACHE (0.75) HSD17B10ACHEMAPTMEN1KMT2A
SCHEMBL943255 0.80 MAPT (0.53) HSD17B10ACHEMAPTMEN1KMT2A
SCHEMBL8729226 0.78 ALDH1A1 (0.62) HSD17B10ACHEMAPTMEN1KMT2A
SCHEMBL4909284 0.78 MAPT (0.47) HSD17B10ACHEMAPTMEN1KMT2A
SCHEMBL4900236 0.78 MAPT (0.47) HSD17B10ACHEMAPTMEN1KMT2A
SCHEMBL11453922 0.77 MAPT (0.66) HSD17B10ACHEMAPTMEN1KMT2A
SCHEMBL11856128 0.77 KMT2A (0.78) HSD17B10ACHEMAPTMEN1KMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070184047-A1 Nitrophenyls and related compounds and thimerosal for the inhibition of immune related cell or tissue destruction CANADIAN BLOOD SERVICES (CA) 2007-08-09 US claimed
EP-1800673-A2 Nitrophenyls and related compounds and thimerosal for the inhibition of immune related cell or tissue destruction Canadian Blood Services (CA) 2007-06-27 EP claimed
EP-4137572-A1 CHIRAL DESIGN Wave Life Sciences Ltd. (SG) 2023-02-22 EP disclosed
EP-2872147-B1 METHOD FOR MAKING CHIRAL OLIGONUCLEOTIDES WAVE LIFE SCIENCES LTD (SG) 2022-12-21 EP disclosed
US-9949480-B2 N-alkylthio beta-lactams, alkyl-coenzyme A asymmetric disulfides, and aryl-alkyl disulfides as anti-bacterial agents UNIVERSITY OF SOUTH FLORIDA (US) 2018-04-24 US disclosed
US-20150327547-A1 N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS UNIVERSITY OF SOUTH FLORIDA (US) 2015-11-19 US disclosed
US-20150327547-A1 N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS UNIVERSITY OF SOUTH FLORIDA (US) 2015-11-19 US disclosed
US-9096635-B2 N-alkylthio beta-lactams, alkyl-coenzyme A asymmetric disulfides, and aryl-alkyl disulfides as anti-bacterial agents UNIVERSITY OF SOUTH FLORIDA (US) 2015-08-04 US disclosed
US-9096635-B2 N-alkylthio beta-lactams, alkyl-coenzyme A asymmetric disulfides, and aryl-alkyl disulfides as anti-bacterial agents UNIVERSITY OF SOUTH FLORIDA (US) 2015-08-04 US disclosed
US-9096635-B2 N-alkylthio beta-lactams, alkyl-coenzyme A asymmetric disulfides, and aryl-alkyl disulfides as anti-bacterial agents UNIVERSITY OF SOUTH FLORIDA (US) 2015-08-04 US disclosed
US-20140235565-A1 N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS UNIVERSITY OF SOUTH FLORIDA (US) 2014-08-21 US disclosed
US-8722937-B2 Asymmetric disulfides and aryl-alkyl disulfides as anti-bacterial agents UNIVERSITY OF SOUTH FLORIDA (US) 2014-05-13 US disclosed
US-8722937-B2 Asymmetric disulfides and aryl-alkyl disulfides as anti-bacterial agents UNIVERSITY OF SOUTH FLORIDA (US) 2014-05-13 US disclosed
US-20100021480-A1 BIOACTIVE SUBSTANCE-BLOOD PROTEIN CONJUGATE AND STABILIZATION OF A BIOACTIVE SUBSTANCE USING THE SAME PEPTRON CO., LTD (KR) 2010-01-28 US disclosed
US-20080182815-A1 Act against several infective agents, and most notably Bacillus spp. and Staphylococcus spp., including infection caused by methicillin-resistant Staphylococcus aureus (MRSA) UNIVERSITY OF SOUTH FLORIDA 2008-07-31 US disclosed
US-20080182815-A1 Act against several infective agents, and most notably Bacillus spp. and Staphylococcus spp., including infection caused by methicillin-resistant Staphylococcus aureus (MRSA) UNIVERSITY OF SOUTH FLORIDA 2008-07-31 US disclosed
US-20080182815-A1 Act against several infective agents, and most notably Bacillus spp. and Staphylococcus spp., including infection caused by methicillin-resistant Staphylococcus aureus (MRSA) UNIVERSITY OF SOUTH FLORIDA 2008-07-31 US disclosed
US-20070184047-A1 Nitrophenyls and related compounds and thimerosal for the inhibition of immune related cell or tissue destruction CANADIAN BLOOD SERVICES (CA) 2007-08-09 US disclosed
EP-1800673-A2 Nitrophenyls and related compounds and thimerosal for the inhibition of immune related cell or tissue destruction Canadian Blood Services (CA) 2007-06-27 EP disclosed
US-5858179-A Method of treating keratinic fibers such as a mammalian hair with a combination of chemicals and electromagnetic radiation INTERTEC LTD. (US) 1999-01-12 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 (4 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-20080182815-A1 Act against several infective agents, and most notably Bacillus spp. and Staphylococcus spp., including infection caused by methicillin-resistant Staphylococcus aureus (MRSA) SQOR, TST, COASY HSD17B10 156/4885ACHE 2211/4885MAPT 3880/4885
US-20100021480-A1 BIOACTIVE SUBSTANCE-BLOOD PROTEIN CONJUGATE AND STABILIZATION OF A BIOACTIVE SUBSTANCE USING THE SAME SERPINA6, CSTB, PLG HSD17B10 3063/4885ACHE 1491/4885MAPT 3724/4885
US-20150327547-A1 N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS COASY, SQOR, TST HSD17B10 160/4885ACHE 1989/4885MAPT 3860/4885
US-20140235565-A1 N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS COASY, SQOR, TST HSD17B10 160/4885ACHE 1989/4885MAPT 3860/4885

“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.