SCHEMBL3472671

SCHEMBL3472671

O=[N+]([O-])c1ccc(S(=O)(=O)O)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.61
KMT2A Q03164 3/20 0.59
HSP90AA1 P07900 2/20 0.59
CXCR5 P32302 2/20 0.59
APLNR P35414 2/20 0.59
CCR6 P51684 2/20 0.59
RAB9A P51151 1/20 0.59
GFER P55789 1/20 0.59
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
SLC2A1 P11166 1/20 0.47
GAA P10253 2/20 0.46
CYP1A2 P05177 1/20 0.46
KDM4E B2RXH2 2/20 0.45
CYP2C19 P33261 1/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 5/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 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
SCHEMBL1492528 0.81 KMT2A (0.64) AGTR1KMT2AHSP90AA1CXCR5APLNR
SCHEMBL30184492 0.81 KMT2A (0.64) AGTR1KMT2AHSP90AA1CXCR5APLNR
SCHEMBL1134371 0.81 AGTR1 (0.61) AGTR1KMT2AHSP90AA1CXCR5APLNR
Hydrochloric Acid SCHEMBL6196645 0.80 AGTR1 (0.59) AGTR1KMT2AHSP90AA1CXCR5APLNR
SCHEMBL31527799 0.80 AGTR1 (0.64) AGTR1KMT2AHSP90AA1CXCR5APLNR
SCHEMBL13713054 0.78 AGTR1 (0.54) AGTR1KMT2AHSP90AA1CXCR5APLNR
SCHEMBL4976522 0.77 KMT2A (0.59) AGTR1KMT2AHSP90AA1CXCR5APLNR
SCHEMBL3156019 0.76 MAPT (0.52) AGTR1KMT2AHSP90AA1CXCR5APLNR
SCHEMBL11400975 0.75 AGTR1 (0.75) AGTR1KMT2AHSP90AA1CXCR5APLNR
SCHEMBL4973717 0.75 RAB9A (0.56) AGTR1KMT2AHSP90AA1CXCR5APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119350233-A Preparation method of aryl sulfonic acid compound 上海麦克林生化科技股份有限公司 2025-01-24 CN disclosed
CN-109456257-B Preparation method of high-yield 2-chloro-5-nitropyridine 新发药业有限公司 2020-04-28 CN disclosed
CN-109456257-A A kind of preparation method of high yield 2- chloro-5-nitropyridine 新发药业有限公司 2019-03-12 CN disclosed
CN-1749252-B Compounds useful to treat retroviral infections PHARMACIA & UPJOHN CO LLC (US) 2011-06-08 CN disclosed
US-20100256092-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
WO-2009140309-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2009-11-19 WO disclosed
CN-1329378-C Compounds for the treatment of retroviral infections PHARMACIA & UPJOHN CO LLC (US) 2007-08-01 CN disclosed
CN-1749252-A Compounds useful to treat retroviral infections PHARMACIA & UPJOHN CO LLC (US) 2006-03-22 CN disclosed
CN-1539825-A Compounds for the treatment of retroviral infections �������Ŷ���Լ��������˾ 2004-10-27 CN disclosed
CN-1154642-C Compounds for the treatment of retroviral infections �������Ŷ���Լ��������˾ 2004-06-23 CN disclosed
CN-1150424-A Compounds for the treatment of retroviral infections UPJOHN CO (US) 1997-05-21 CN 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-20100256092-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD AGTR1 3696/4885KMT2A 1841/4885HSP90AA1 745/4885

“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.