SCHEMBL2191784

SCHEMBL2191784

[NH]C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.61
▸ BCL9 O00512 1/20 0.57
▸ CTNNB1 P35222 1/20 0.57
▸ KMT2A Q03164 4/20 0.56
▸ PKM P14618 1/20 0.56
▸ CES1 P23141 2/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CES2 O00748 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ MGLL Q99685 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MYOC Q99972 1/20 0.50
▸ HGFAC Q04756 1/20 0.49

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
SCHEMBL7063519 0.83 GAA (0.65) GAABCL9CTNNB1KMT2APKM
SCHEMBL26374 0.83 GAA (0.65) GAABCL9CTNNB1KMT2APKM
SCHEMBL2748042 0.82 GAA (0.62) GAABCL9CTNNB1KMT2APKM
SCHEMBL26375 0.82 GAA (0.62) GAABCL9CTNNB1KMT2APKM
Hydrochloric Acid SCHEMBL7895043 0.82 GAA (0.62) GAABCL9CTNNB1KMT2APKM
SCHEMBL23084891 0.82 GAA (0.62) GAABCL9CTNNB1KMT2APKM
SCHEMBL3125295 0.82 GAA (0.62) GAABCL9CTNNB1KMT2APKM
SCHEMBL20377184 0.81 SMN1; SMN2 (0.64) GAABCL9CTNNB1KMT2APKM
SCHEMBL6322393 0.81 SMN1; SMN2 (0.64) GAABCL9CTNNB1KMT2APKM
SCHEMBL8741192 0.81 ALDH1A1 (0.60) GAABCL9CTNNB1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2351738-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO)PIPERIDIN-3-OL Sumitomo Chemical Company, Limited (JP) 2011-08-03 — — EP disclosed
US-20110172431-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO) PIPERIDIN-3-OL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-14 — — US disclosed
US-7906629-B2 Protease inhibitor conjugates and antibodies useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2011-03-15 — — US disclosed
US-7649085-B2 Saquinavir conjugates and antibodies useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2010-01-19 — — US disclosed
EP-1809672-B1 ATAZANAVIR CONJUGATES AND ANTIBIBODIES USEFUL IN IMMUNOSSAY ROCHE DIAGNOSTICS GMBH (DE) 2009-09-09 — — EP disclosed
US-7569678-B2 Protease inhibitor conjugates and antibodies useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2009-08-04 — — US disclosed
US-7482437-B2 Protease inhibitor conjugates and antibodies useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2009-01-27 — — US disclosed
EP-1888581-A2 HIV-INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-02-20 — — EP disclosed
US-20080021201-A1 Protease inhibitor conjugates and antibodies useful in immunoassay SIGLER GERALD F 2008-01-24 — — US disclosed
US-20070155959-A1 Protease inhibitor conjugates and antibodies useful in immunoassay SIGLER GERALD F 2007-07-05 — — US disclosed
US-20040127689-A1 Protease inhibitor conjugates and antibodies useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. 2004-07-01 — — US disclosed
EP-1409546-A2 PROTEASE INHIBITOR CONJUGATES AND ANTIBODIES USEFUL IN IMMUNOASSAY Roche Diagnostics GmbH (DE) 2004-04-21 — — EP disclosed
US-20030100088-A1 Protease inhibitor conjugates and antibodies useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. 2003-05-29 — — US disclosed
WO-2003006506-A2 PROTEASE INHIBITOR CONJUGATES AND ANTIBODIES USEFUL IN IMMUNOASSAY ROCHE DIAGNOSTICS GMBH (DE) 2003-01-23 — — WO disclosed
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 — — WO disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 — — US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 — — EP disclosed
US-5075208-A Releasing a photographically useful compound upon reduction FUJI PHOTO FILM CO., LTD. (JP) 1991-12-24 — — US disclosed
US-4994363-A Silver halide light-sensitive material containing a compound releasing a photographically useful group FUJI PHOTO FILM CO., LTD. (JP) 1991-02-19 — — US disclosed
US-4840887-A USEFUL GROUP RELEASED BY CLEAVAGE BETWEEN SULFONYL GROUP AND A NITROGEN, SULFUR OR OXYGEN ATOM; STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1989-06-20 — — 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 (5 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-20030100088-A1 Protease inhibitor conjugates and antibodies useful in immunoassay SERPINB1, HPN, SPR GAA 287/4885BCL9 2708/4885CTNNB1 4070/4885
US-20040127689-A1 Protease inhibitor conjugates and antibodies useful in immunoassay SERPINB1, HPN, DNPEP GAA 207/4885BCL9 2771/4885CTNNB1 4159/4885
US-20080021201-A1 Protease inhibitor conjugates and antibodies useful in immunoassay SERPINB1, HPN, SPR GAA 394/4885BCL9 2354/4885CTNNB1 4221/4885
US-20070155959-A1 Protease inhibitor conjugates and antibodies useful in immunoassay SERPINB1, HPN, SPR GAA 394/4885BCL9 2353/4885CTNNB1 4240/4885
US-20110172431-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO) PIPERIDIN-3-OL TEAD4, TEAD3, TEAD2 GAA 2624/4885BCL9 1430/4885CTNNB1 1534/4885

“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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