Sugi Predict

Sugi Predict / Compounds / SCHEMBL2720263

SCHEMBL2720263

SCHEMBL2720263

COC(=O)c1cc(I)c(C)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ TPMT P51580 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ PDGFRA P16234 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
SCHEMBL989006 0.89 VCAM1 (0.56) VCAM1MAPTKDM4ELMNATPMT
SCHEMBL3353665 0.84 MEN1 (0.51) VCAM1MAPTKDM4ELMNATPMT
SCHEMBL15432231 0.84 VCAM1 (0.52) VCAM1MAPTKDM4ELMNATPMT
SCHEMBL31161317 0.84 VCAM1 (0.52) VCAM1MAPTKDM4ELMNATPMT
SCHEMBL2720416 0.83 VCAM1 (0.49) VCAM1MAPTKDM4ELMNATPMT
SCHEMBL5216210 0.83 TPMT (0.56) VCAM1MAPTKDM4ELMNATPMT
SCHEMBL2900581 0.83 TPMT (0.55) VCAM1MAPTKDM4ELMNATPMT
SCHEMBL2720816 0.82 TSHR (0.56) MAPTLMNATPMTALDH1A1PARP1
SCHEMBL2896738 0.81 MAPT (0.51) VCAM1MAPTKDM4ELMNATPMT
SCHEMBL2671510 0.81 VCAM1 (0.50) VCAM1MAPTKDM4ELMNATPMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10155731-B2 Nitrogen-containing saturated heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-12-18 — — US disclosed
EP-2933248-B1 NOVEL RENIN INHIBITOR MITSUBISHI TANABE PHARMA CORP (JP) 2018-01-31 — — EP disclosed
EP-2687518-B1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2017-11-01 — — EP disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 — — US disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 — — US disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 — — US disclosed
US-20160362395-A1 INDOLE, INDAZOLE AND BENZIMIDAZOLE ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2016-12-15 — — US disclosed
US-20160362395-A1 INDOLE, INDAZOLE AND BENZIMIDAZOLE ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2016-12-15 — — US disclosed
US-20160362395-A1 INDOLE, INDAZOLE AND BENZIMIDAZOLE ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2016-12-15 — — US disclosed
US-9440956-B2 Indole, indazole and benzimidazole arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2016-09-13 — — US disclosed
US-8476457-B2 Indole, indazole and benzimidazole arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2013-07-02 — — US disclosed
US-8476457-B2 Indole, indazole and benzimidazole arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2013-07-02 — — US disclosed
US-8476457-B2 Indole, indazole and benzimidazole arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2013-07-02 — — US disclosed
WO-2012124775-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 (JP) 2012-09-20 — — WO disclosed
EP-2445897-A1 NOVEL INDOLE, INDAZOLE AND BENZIMIDAZOLE ARYLAMIDES AS P2X3 AND/OR P2X2/3 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-05-02 — — EP disclosed
WO-2010149634-A1 NOVEL INDOLE, INDAZOLE AND BENZIMIDAZOLE ARYLAMIDES AS P2X3 AND/OR P2X2/3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-29 — — WO disclosed
WO-2010149634-A1 NOVEL INDOLE, INDAZOLE AND BENZIMIDAZOLE ARYLAMIDES AS P2X3 AND/OR P2X2/3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-29 — — WO disclosed
US-20100324070-A1 INDOLE, INDAZOLE AND BENZIMIDAZOLE ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS DILLON MICHAEL PATRICK 2010-12-23 — — US disclosed
US-20100324070-A1 INDOLE, INDAZOLE AND BENZIMIDAZOLE ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS DILLON MICHAEL PATRICK 2010-12-23 — — US disclosed
US-20100324070-A1 INDOLE, INDAZOLE AND BENZIMIDAZOLE ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS DILLON MICHAEL PATRICK 2010-12-23 — — 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-20160362395-A1 INDOLE, INDAZOLE AND BENZIMIDAZOLE ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX1 VCAM1 4065/4885MAPT 4068/4885KDM4E 3877/4885
US-10155731-B2 Nitrogen-containing saturated heterocyclic compound REN, AGTR1, AGTR2 VCAM1 3849/4885MAPT 3045/4885KDM4E 1787/4885
US-20100324070-A1 INDOLE, INDAZOLE AND BENZIMIDAZOLE ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 VCAM1 4190/4885MAPT 4161/4885KDM4E 3402/4885

“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.