SCHEMBL4042811

SCHEMBL4042811

Fc1ccc(-n2cn[c]n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.42
KMT2A Q03164 1/20 0.34
FLT3 P36888 2/20 0.33
MGLL Q99685 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
GFER P55789 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31
F2 P00734 1/20 0.31
PTGS2 P35354 2/20 0.30

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
SCHEMBL7222952 0.81 NOTUM (0.48) NOTUMFLT3MGLLADORA3LMNA
SCHEMBL7762159 0.79 NOTUM (0.42) NOTUMFLT3MGLLADORA3RXRA
SCHEMBL796144 0.78 NOTUM (0.43) NOTUMADORA3ALDH1A1HTTKDM4E
SCHEMBL23451696 0.71 NOTUM (0.51) NOTUMALDH1A1LMNAMAPTL3MBTL1
SCHEMBL7223302 0.68 NOTUM (0.38) NOTUM
SCHEMBL1896258 0.67 NOTUM (0.47) NOTUMKMT2AFLT3MGLLADORA3
SCHEMBL4719399 0.64 NOTUM (0.40) NOTUMKMT2AFLT3MGLLADORA3
SCHEMBL2752440 0.64 NOTUM (0.44) NOTUMKMT2AFLT3MGLLALDH1A1
SCHEMBL11118984 0.64 NOTUM (0.64) NOTUMALDH1A1LMNAMAPTMAPK1
SCHEMBL22290196 0.62 NOTUM (0.34) NOTUMKMT2AMGLLALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1503998-B1 HETEROARYL SUBSTITUTED SPIROCYCLIC SUFAMIDES FOR INHIBITION OF GAMMA SECRETASE MERCK SHARP & DOHME (GB) 2009-07-01 EP claimed
EP-1291345-B1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
US-6924276-B2 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-08-02 US disclosed
US-20030087924-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors SORENSON RODERICK JOSEPH (US) 2003-05-08 US disclosed
EP-1291345-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2003-03-12 EP 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 (1 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-20030087924-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP3, MMP9 NOTUM 2612/4885KMT2A 781/4885FLT3 3733/4885

“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.