SCHEMBL2987873

SCHEMBL2987873

CC(C)(C)C(=O)OCc1ccc([N+](=O)[O-])c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.44
▸ SNCA P37840 1/20 0.40
▸ HTT P42858 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ SIRT6 Q8N6T7 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ BACE1 P56817 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
SCHEMBL14568385 0.88 MEN1 (0.41) GPR35SNCAHTTALDH1A1MAPT
SCHEMBL13553414 0.85 NPSR1 (0.42) HTTALDH1A1MAPTNPSR1LMNA
SCHEMBL18735630 0.81 KDM4E (0.53) SNCAALDH1A1MAPTKDM4EGAA
SCHEMBL2346437 0.79 GPR35 (0.51) GPR35SNCAALDH1A1MAPTKDM4E
SCHEMBL9976430 0.78 ALDH1A1 (0.55) HTTALDH1A1MAPTGAA
SCHEMBL18719614 0.78 KDM4E (0.42) ALDH1A1MAPTKDM4EGAAPKM
SCHEMBL19193109 0.77 SNCA (0.54) GPR35SNCAHTTALDH1A1MAPT
SCHEMBL2977657 0.77 ALDH1A1 (0.38) HTTALDH1A1MAPTNPSR1LMNA
SCHEMBL19405909 0.77 GPR35 (0.43) GPR35SNCAALDH1A1MAPTKDM4E
SCHEMBL8170826 0.77 GPR35 (0.49) GPR35SNCAALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786127-B2 Benzimidazole thiophene compounds Glaxo SmithKline LLC (US) 2010-08-31 — — US disclosed
US-7786127-B2 Benzimidazole thiophene compounds Glaxo SmithKline LLC (US) 2010-08-31 — — US disclosed
US-7786127-B2 Benzimidazole thiophene compounds Glaxo SmithKline LLC (US) 2010-08-31 — — US disclosed
EP-2032563-B1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON PLK GLAXOSMITHKLINE LLC (US) 2010-06-02 — — EP disclosed
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-25 — — US disclosed
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-25 — — US disclosed
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-25 — — US disclosed
EP-1924572-B1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORP (US) 2009-12-30 — — EP disclosed
EP-1937671-B1 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-12-16 — — EP disclosed
EP-1937671-B1 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-12-16 — — EP disclosed
US-20080214567-A1 Benzimidazole Thiophene Compounds GLAXOSMITHKLINE LLC 2008-09-04 — — US disclosed
EP-1937671-A2 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SmithKline Beecham Corporation (US) 2008-07-02 — — EP disclosed
EP-1924572-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SmithKline Beecham Corporation (US) 2008-05-28 — — EP disclosed
US-20070270437-A1 Benzimidazole Thiophene Compounds CHEUNG MUI 2007-11-22 — — US disclosed
US-20070270437-A1 Benzimidazole Thiophene Compounds CHEUNG MUI 2007-11-22 — — US disclosed
US-20070270437-A1 Benzimidazole Thiophene Compounds CHEUNG MUI 2007-11-22 — — US disclosed
WO-2007030366-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 — — WO disclosed
WO-2007030361-A2 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 — — WO disclosed
WO-2007030366-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 — — WO disclosed
WO-2007030361-A2 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 — — 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-20080214567-A1 Benzimidazole Thiophene Compounds ABCB1, ABCG2, CYP3A5 GPR35 1989/4885SNCA 3089/4885HTT 601/4885
US-20070270437-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 GPR35 2475/4885SNCA 3108/4885HTT 985/4885
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS ABCB1, CYP3A5, CYP3A4 GPR35 2474/4885SNCA 3758/4885HTT 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.

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