SCHEMBL4993714

SCHEMBL4993714

Nc1cc(C(=O)OCc2ccccc2)cc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ SLC6A2 P23975 1/20 0.68
▸ SLC6A3 Q01959 1/20 0.68
▸ LMNA P02545 3/20 0.62
▸ ALDH1A1 P00352 6/20 0.54
▸ MAPT P10636 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ RAB9A P51151 6/20 0.54
▸ NPC1 O15118 4/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.49
▸ GAA P10253 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
SCHEMBL12856431 0.97 TDP1 (0.68) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL6282770 0.91 KMT2A (0.81) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL6160608 0.89 KMT2A (0.58) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL10137663 0.89 TDP1 (0.54) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL417403 0.88 KMT2A (0.59) TDP1KMT2ASLC6A2SLC6A3LMNA
Hydrochloric Acid SCHEMBL2002861 0.88 KMT2A (0.57) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL9051523 0.87 NPC1 (0.61) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL913728 0.87 TDP1 (0.69) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL6652699 0.87 TDP1 (0.55) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL10137662 0.87 KMT2A (0.55) TDP1KMT2ASLC6A2SLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3353152-B1 METHOD NORSK MEDISINSK SYKLOTRONSENTER AS (NO) 2021-09-15 — — EP disclosed
EP-1583750-B1 Macrocyclic beta-secretase inhibitors for treatment of Alzheimer's disease MERCK SHARP & DOHME (US) 2013-02-27 — — EP disclosed
US-7371853-B2 Macrocyclic β-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2008-05-13 — — US disclosed
US-7214712-B2 Isophthalic acid derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-05-08 — — US disclosed
US-20060058278-A1 Macrocyclic beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME LLC 2006-03-16 — — US disclosed
US-6995151-B2 Isophthalic acid derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-02-07 — — US disclosed
US-20060025396-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors BARVIAN NICOLE C 2006-02-02 — — US disclosed
EP-1583750-A2 MACROCYCLIC BETA-SECRETASE INHIBITORS FOR TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2005-10-12 — — EP disclosed
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 — — EP disclosed
EP-1536786-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 — — EP disclosed
WO-1997032860-A1 BENZODIAZONINE DERIVATIVES BINDING TO CHOLECYSTOKININ OR GASTRIN RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 1997-09-12 — — WO disclosed
EP-0763026-A1 GASTRIN AND CCK ANTAGONISTS JAMES BLACK FOUNDATION LIMITED (GB) 1997-03-19 — — EP disclosed
EP-0745673-A2 Catalytic antibody regulated prodrug therapy ZENECA LIMITED (GB) 1996-12-04 — — EP disclosed
EP-0720601-A1 GASTRIN AND CCK RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1996-07-10 — — EP disclosed
EP-0719251-A1 BICYCLO (2.2.2) OCTANE DERIVATIVES CHOLECYSTOKININ AND/OR GASTRIN ANTAGONISTS JAMES BLACK FOUNDATION LIMITED (GB) 1996-07-03 — — EP disclosed
US-5514683-A LIGANDS FKOR CHOLECYSTOKININ OR GASTRIN RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 1996-05-07 — — US disclosed
WO-1995032949-A1 GASTRIN AND CCK ANTAGONISTS JAMES BLACK FOUNDATION LIMITED (GB) 1995-12-07 — — WO disclosed
WO-1995030647-A1 CCK AND GASTRIN RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1995-11-16 — — WO disclosed
WO-1995005359-A1 BICYCLO (2.2.2) OCTANE DERIVATIVES CHOLECYSTOKININ AND/OR GASTRIN ANTAGONISTS JAMES BLACK FOUNDATION LIMITED (GB) 1995-02-23 — — WO disclosed
WO-1995004720-A2 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 1995-02-16 — — 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 (2 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-20060025396-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP3 TDP1 4305/4885KMT2A 3382/4885SLC6A2 575/4885
US-20060058278-A1 Macrocyclic beta-secretase inhibitors for the treatment of alzheimer's disease BACE1, BACE2, APP TDP1 677/4885KMT2A 3961/4885SLC6A2 4254/4885

“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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