SCHEMBL2710160

SCHEMBL2710160

O=C(O)c1ccc(-n2cc(-c3ccccc3[N+](=O)[O-])cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.53
▸ HPGDS O60760 1/20 0.49
▸ ALKBH2 Q6NS38 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ EP300 Q09472 1/20 0.43
▸ GRM4 Q14833 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GRM2 Q14416 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ MYC P01106 1/20 0.40
▸ MAX P61244 1/20 0.40
▸ CA12 O43570 1/20 0.40

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
SCHEMBL17125374 0.89 HSP90AA1 (0.52) HSP90AA1HPGDSALKBH2ALDH1A1TDP1
SCHEMBL17125380 0.81 TSHR (0.47) HSP90AA1HPGDSALKBH2ALDH1A1EP300
SCHEMBL181762 0.81 MAP4K4 (0.51) HSP90AA1HPGDSALKBH2GRM4NPC1
SCHEMBL181844 0.80 HPGDS (0.54) HSP90AA1HPGDSALKBH2GRM4NPC1
SCHEMBL16784826 0.80 GRM4 (0.56) HSP90AA1HPGDSALKBH2ALDH1A1GRM4
SCHEMBL182382 0.79 MAPKAPK2 (0.54) HSP90AA1ALDH1A1GRM4NPC1RAB9A
SCHEMBL182369 0.79 HPGDS (0.63) HSP90AA1HPGDSALKBH2ALDH1A1NPC1
SCHEMBL181969 0.79 TDP1 (0.55) HSP90AA1HPGDSALKBH2TDP1MAP4K4
SCHEMBL2349847 0.78 ALDH1A1 (0.70) ALDH1A1TDP1MYCMAX
SCHEMBL16300888 0.78 HPGDS (0.49) HSP90AA1HPGDSALKBH2ALDH1A1GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160199357-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH PTC THERAPEUTICS, INC. 2016-07-14 — — US disclosed
US-9289398-B2 Methods for the production of functional protein from DNA having a nonsense mutation and the treatment of disorders associated therewith PTC THERAPEUTICS, INC. (US) 2016-03-22 — — US disclosed
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2015-10-01 — — US disclosed
US-9051342-B2 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation related diseases PTC THERAPEUTICS, INC. (US) 2015-06-09 — — US disclosed
US-20110046136-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCICATED THEREWITH THERAPEUTICS, INC. (US) 2011-02-24 — — US disclosed
US-20080280869-A1 Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases PTC THERAPEUTICS, INC. 2008-11-13 — — 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-20110046136-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCICATED THEREWITH UPF1, DNAJC10, RNGTT HSP90AA1 192/4885HPGDS 2225/4885ALKBH2 2169/4885
US-20160199357-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH UPF1, DNAJC10, RNGTT HSP90AA1 147/4885HPGDS 1994/4885ALKBH2 1916/4885
US-20080280869-A1 Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases UPF1, RNMT, VHL HSP90AA1 2105/4885HPGDS 2737/4885ALKBH2 3197/4885
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES UPF1, RNMT, VHL HSP90AA1 2105/4885HPGDS 2737/4885ALKBH2 3197/4885

“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.

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