SCHEMBL4731090

SCHEMBL4731090

COC(=O)c1cc(N)cc(C(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
KDM4E B2RXH2 5/20 0.48
GAA P10253 4/20 0.48
LMNA P02545 3/20 0.48
POLB P06746 2/20 0.48
XDH P47989 2/20 0.48
NFKB1 P19838 1/20 0.48
GFER P55789 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
FUT7 Q11130 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ATAD2 Q6PL18 1/20 0.48
USP2 O75604 1/20 0.46

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
SCHEMBL111187 0.92 CA12 (0.58) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL111186 0.90 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL4731536 0.89 CA1 (0.60) CA12CA1CA2CA7CA9
SCHEMBL654773 0.87 CA1 (0.58) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL9494959 0.85 CA1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL1976289 0.85 CA5A (0.52) CA2KDM4ELMNATDP1L3MBTL1
SCHEMBL10600019 0.84 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL2205901 0.84 KDM4E (0.50) CA12CA1CA2CA7CA9
SCHEMBL28312240 0.82 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL8410461 0.82 ATAD2 (0.60) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145063-A1 MODIFIED BIOTIN, STREPTAVIDIN MUTANT, AND USAGE OF THEM SAVID THERAPEUTICS INC. (JP) 2017-05-25 US disclosed
US-20170107562-A1 METHODS FOR NUCLEIC ACID SEQUENCING Quantum-Si Incorporated (US) 2017-04-20 US disclosed
US-9611279-B2 Zinc complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-04-04 US disclosed
US-20160002268-A1 ZINC COMPLEX TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-01-07 US disclosed
WO-2008054454-A2 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF AS ANTIVIRAL AGENTS TRANSTECH PHARMA, INC. (US) 2008-05-08 WO disclosed
WO-2008054454-A2 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF AS ANTIVIRAL AGENTS TRANSTECH PHARMA, INC. (US) 2008-05-08 WO disclosed
US-20070219239-A1 Nitrogen-containing heterocycle derivatives, pharmaceutical compositions, and methods of use thereof as antiviral agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-09-20 US disclosed
US-20070219239-A1 Nitrogen-containing heterocycle derivatives, pharmaceutical compositions, and methods of use thereof as antiviral agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-09-20 US disclosed
US-20070219239-A1 Nitrogen-containing heterocycle derivatives, pharmaceutical compositions, and methods of use thereof as antiviral agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-09-20 US disclosed
US-6630496-B1 Antiinflammatory agents inhibit phospholipase 2, affecting both protaglandin and leukotriene production; indoles substituted in 2 position by 2,4-dioxo-thiazol-3-yl methylidene GENETICS INSTITUTE LLC 2003-10-07 US disclosed
EP-1062216-A1 INHIBITORS OF PHOSPHOLIPASE A2 GENETICS INSTITUTE, INC. (US) 2000-12-27 EP disclosed
WO-1999043672-A9 INHIBITORS OF PHOSPHOLIPASE A2 GENETICS INST (US) 2000-05-04 WO disclosed
WO-1999043672-A1 INHIBITORS OF PHOSPHOLIPASE A2 GENETICS INSTITUTE, INC. (US) 1999-09-02 WO disclosed
EP-0922028-A1 INHIBITORS OF PHOSPHOLIPASE ENZYMES GENETICS INSTITUTE, INC. (US) 1999-06-16 EP disclosed
WO-1998008818-A1 INHIBITORS OF PHOSPHOLIPASE ENZYMES GENETICS INSTITUTE, INC. (US) 1998-03-05 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-20170145063-A1 MODIFIED BIOTIN, STREPTAVIDIN MUTANT, AND USAGE OF THEM BTD, HLCS, BROX CA12 4074/4885CA1 4877/4885CA2 4868/4885
US-20160002268-A1 ZINC COMPLEX SLC39A11, SLC39A3, SOD1 CA12 1565/4885CA1 1743/4885CA2 3391/4885
US-20070219239-A1 Nitrogen-containing heterocycle derivatives, pharmaceutical compositions, and methods of use thereof as antiviral agents NUDT1, PNP, NME2 CA12 3509/4885CA1 3651/4885CA2 3944/4885

“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.