SCHEMBL3205274

SCHEMBL3205274

O=C(O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPT P10636 3/20 0.54
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
TP53 P04637 2/20 0.50
HTT P42858 2/20 0.50
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
NT5E P21589 1/20 0.48
GAA P10253 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MYC P01106 1/20 0.45
MAX P61244 1/20 0.45

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
SCHEMBL2983082 0.87 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15MAPT
Potassium Ion SCHEMBL2983136 0.85 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL2967553 0.85 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL19071950 0.85 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL12473437 0.85 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL7026439 0.85 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL7026429 0.85 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL2979886 0.85 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15MAPT
Potassium SCHEMBL7999066 0.84 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL7999063 0.84 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4ALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678702-B2 CMP composition of boron surface-modified abrasive and nitro-substituted sulfonic acid and method of use AIR PRODUCTS AND CHEMICALS, INC. (US) 2010-03-16 US claimed
US-20170283787-A1 METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-10-05 US disclosed
US-20170283787-A1 METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-10-05 US disclosed
EP-3187584-A1 METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS Japan Science and Technology Agency (JP) 2017-07-05 EP disclosed
US-7678702-B2 CMP composition of boron surface-modified abrasive and nitro-substituted sulfonic acid and method of use AIR PRODUCTS AND CHEMICALS, INC. (US) 2010-03-16 US disclosed
US-7247566-B2 CMP method for copper, tungsten, titanium, polysilicon, and other substrates using organosulfonic acids as oxidizers DUPONT AIR PRODUCTS NANOMATERIALS LLC (US) 2007-07-24 US disclosed
US-20070054495-A1 CMP composition of boron surface-modified abrasive and nitro-substituted sulfonic acid and method of use VERSUM MATERIALS US, LLC 2007-03-08 US disclosed
US-20050090109-A1 CMP method for copper, tungsten, titanium, polysilicon, and other substrates using organosulfonic acids as oxidizers VERSUM MATERIALS US, LLC 2005-04-28 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 (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-20170283787-A1 METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS RNGTT, POLRMT, DNTT ALDH1A1 1261/4885TDP1 123/4885CYP3A4 1474/4885

“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.