SCHEMBL4373604

SCHEMBL4373604

O=[N+]([O-])c1cccc(CS(=O)(=O)Cl)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TSHR P16473 3/20 0.47
GPR35 Q9HC97 2/20 0.47
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CA12 O43570 1/20 0.40
HPGD P15428 1/20 0.40
S100A4 P26447 2/20 0.40
CYP19A1 P11511 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PTPRC P08575 1/20 0.37

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
SCHEMBL8432870 0.85 GPR35 (0.53) ALDH1A1TSHRGPR35TDP1KMT2A
SCHEMBL31424902 0.84 ALDH1A1 (0.61) ALDH1A1TSHRKMT2AMEN1CA12
SCHEMBL270126 0.84 ALDH1A1 (0.61) ALDH1A1TSHRKMT2AMEN1CA12
SCHEMBL15657421 0.83 GPR35 (0.51) ALDH1A1TSHRGPR35TDP1KMT2A
Hydrochloric Acid SCHEMBL8103680 0.83 ALDH1A1 (0.59) ALDH1A1TSHRKMT2AMEN1CA12
SCHEMBL9138180 0.80 TSHR (0.59) ALDH1A1TSHRGPR35TDP1KMT2A
SCHEMBL5604297 0.79 TSHR (0.69) ALDH1A1TSHRGPR35TDP1HPGD
SCHEMBL2480650 0.77 TSHR (0.60) ALDH1A1TSHRGPR35TDP1KMT2A
SCHEMBL3037173 0.77 TSHR (0.55) ALDH1A1TSHRGPR35TDP1HPGD
SCHEMBL6895483 0.76 KMT2A (0.53) ALDH1A1TSHRKMT2AMEN1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547722-B2 Chemical compounds ASTRAZENECA AB (SE) 2009-06-16 US disclosed
EP-1543012-B1 6H-THIEN 2, 3-B]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) ASTRAZENECA AB (SE) 2008-07-16 EP disclosed
US-20080045517-A1 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-7268158-B2 6H-THIENO [2,3-b]pyrrole derivatives as antagonists of gonadotropin releasing hormone (GnRH) ASTRAZENECA AB (SE) 2007-09-11 US disclosed
US-7132442-B2 6H-thieno[2, 3-b]pyrrole derivatives as antagonists of gonadotropin releasing hormone (GnRH) ASTRAZENECA AB (SE) 2006-11-07 US disclosed
US-20060235067-A1 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) ASTRAZENECA AB (SE) 2006-10-19 US disclosed
US-20060004082-A1 6H-thieno'2, 3-b!pyrrole derivatives as antagonists of gonadotropin releasing hormone (gnrh) ASTRAZENECA (SE) 2006-01-05 US disclosed
EP-1543012-A1 6H-THIEN 2, 3-B!PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) AstraZeneca AB (SE) 2005-06-22 EP disclosed
WO-2004018480-A1 6H-THIENO`2, 3-B!PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) ASTRAZENECA AB (SE) 2004-03-04 WO 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-20060004082-A1 6H-thieno'2, 3-b!pyrrole derivatives as antagonists of gonadotropin releasing hormone (gnrh) GNRHR, PRLHR, GHRHR ALDH1A1 3747/4885TSHR 15/4885GPR35 329/4885
US-20080045517-A1 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) GNRHR, PRLHR, GHRHR ALDH1A1 3549/4885TSHR 20/4885GPR35 283/4885
US-20060235067-A1 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) GNRHR, PRLHR, GHRHR ALDH1A1 3549/4885TSHR 20/4885GPR35 283/4885

“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.