SCHEMBL323980

SCHEMBL323980

NC(=O)c1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.53
CA1 P00915 2/20 0.53
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
MKNK1 Q9BUB5 9/20 0.50
MKNK2 Q9HBH9 9/20 0.50
CYP17A1 P05093 1/20 0.47
PARP10 Q53GL7 2/20 0.46
PARP4 Q9UKK3 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
PARP15 Q460N3 1/20 0.46
PARP14 Q460N5 1/20 0.46
PARP16 Q8N5Y8 1/20 0.46
PARP11 Q9NR21 1/20 0.46
PARP1 P09874 2/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 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
SCHEMBL55043 0.85
SCHEMBL1002578 0.85 CA2 (0.67) CA2CA1CA12CA9CA14
Terephthalamide SCHEMBL7508927 0.80 PARP1 (0.67) CA2CA1CA12CA9CA14
SCHEMBL298629 0.79 BCL2L1 (0.58) CA2CA1CA12CA9CA14
SCHEMBL22367342 0.78 MKNK1 (0.64) CA2CA1CA12CA9CA14
SCHEMBL27998215 0.78 MKNK1 (0.62) CA2CA1CA12CA9CA14
SCHEMBL197280 0.78 DHODH (0.53) PARP1ERN1
SCHEMBL2225726 0.78 MKNK1 (0.50) CA2CA1CA12CA9CA14
SCHEMBL183005 0.78 MKNK1 (0.44) CA2CA1CA12CA9CA14
SCHEMBL28631597 0.77 BCL2L1 (0.56) CA2CA1CA12CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP claimed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US claimed
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US claimed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP claimed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO claimed
CN-107641820-A Copper foil with carrier JX日矿日石金属株式会社 2018-01-30 CN disclosed
CN-104584699-B Copper foil with carrier JX日矿日石金属株式会社 2017-09-26 CN disclosed
CN-104822525-B Copper foil with carrier JX日矿日石金属株式会社 2017-08-11 CN disclosed
CN-104230831-A Triazine compounds as PI3 kinase and mTOR inhibitors WYETH LLC 2014-12-24 CN disclosed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US disclosed
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP disclosed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 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-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors TNF, MMP9, MMP1 CA2 561/4885CA1 612/4885CA12 1276/4885
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors PDPK1, PI4KA, PIK3CA CA2 3766/4885CA1 4866/4885CA12 4848/4885

“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.