SCHEMBL2234824

SCHEMBL2234824

Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.63
ALDH1A1 P00352 1/20 0.63
ACHE P22303 2/20 0.60
HSD17B10 Q99714 1/20 0.60
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
MAOA P21397 1/20 0.56
KMT2A Q03164 4/20 0.52
GPR17 Q13304 1/20 0.51
BCHE P06276 1/20 0.50
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50

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
SCHEMBL1061125 1.00 HSP90AA1 (0.63) HSP90AA1ALDH1A1ACHEHSD17B10CA1
Iodobenzene SCHEMBL2895552 0.89 ALDH1A1 (0.53) HSP90AA1ALDH1A1ACHEHSD17B10CA1
SCHEMBL2239682 0.87 ALDH1A1 (0.63) HSP90AA1ALDH1A1CA1CA2CA9
SCHEMBL2237370 0.87 ALDH1A1 (0.63) HSP90AA1ALDH1A1CA1CA2CA9
SCHEMBL4126086 0.86 MEN1 (0.60) ALDH1A1CA1CA2CA9KMT2A
SCHEMBL9852204 0.86 MEN1 (0.60) ALDH1A1CA1CA2CA9KMT2A
SCHEMBL18179825 0.86 MEN1 (0.60) ALDH1A1CA1CA2CA9KMT2A
SCHEMBL14594621 0.85 HTT (0.62) HSP90AA1ALDH1A1CA1CA2CA9
SCHEMBL7115926 0.84 ACHE (0.56) HSP90AA1ALDH1A1ACHEHSD17B10CA1
Iodide SCHEMBL22068772 0.84 CA2 (0.59) ALDH1A1CA1CA2CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108191729-B A kind of synthetic method of thiosulfonic acid esters compound 广东工业大学 2019-11-08 CN disclosed
CN-108191729-A A kind of synthetic method of thiosulfonic acid esters compound 广东工业大学 2018-06-22 CN disclosed
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2017-05-04 US disclosed
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2017-05-04 US disclosed
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2017-05-04 US disclosed
EP-2928470-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2015-10-14 EP disclosed
US-9034888-B2 Substituted 2-imidazolidones and analogs UNIVERSITE LAVAL (CA) 2015-05-19 US disclosed
US-9034888-B2 Substituted 2-imidazolidones and analogs UNIVERSITE LAVAL (CA) 2015-05-19 US disclosed
US-9034888-B2 Substituted 2-imidazolidones and analogs UNIVERSITE LAVAL (CA) 2015-05-19 US disclosed
WO-2014089378-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2014-06-12 WO disclosed
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
EP-2536693-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS Université Laval (CA) 2012-12-26 EP disclosed
US-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITE LAVAL (CA) 2012-12-06 US disclosed
US-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITE LAVAL (CA) 2012-12-06 US disclosed
US-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITE LAVAL (CA) 2012-12-06 US disclosed
WO-2012142698-A1 ALKYLUREA DERIVATIVES ACTIVE AGAINST CANCER CELLS UNIVERSITE LAVAL (CA) 2012-10-26 WO disclosed
WO-2011100840-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITé LAVAL (CA) 2011-08-25 WO disclosed
US-4433156-A Process for preparing fluoran derivatives FUJI PHOTO FILM CO., LTD. (JP) 1984-02-21 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 (3 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-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS CCNY, RPS4Y1, TPX2 HSP90AA1 2678/4885ALDH1A1 1937/4885ACHE 4794/4885
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 HSP90AA1 679/4885ALDH1A1 1400/4885ACHE 60/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 HSP90AA1 679/4885ALDH1A1 1400/4885ACHE 60/4885

“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.