SCHEMBL7063243

SCHEMBL7063243

CCC(O)Nc1cccc[n+]1[O-]

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
SLC2A1 P11166 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL8180111 0.78 ALDH1A1 (0.42) LMNASLC2A1KDM4ETDP1KMT2A
SCHEMBL6773271 0.73 KMT2A (0.34) LMNAHTTSLC2A1KDM4ETDP1
SCHEMBL6963178 0.70 KMT2A (0.34) LMNAHTTSLC2A1KDM4ETDP1
SCHEMBL28005270 0.69 MAPT (0.45) SLC2A1KDM4ETDP1KMT2AL3MBTL1
SCHEMBL5076504 0.69
SCHEMBL347685 0.67 TDP1 (0.50) LMNATDP1KMT2AL3MBTL1IDO1
SCHEMBL14182015 0.67 NPSR1 (0.38) LMNAHTTKDM4ETDP1KMT2A
SCHEMBL27928253 0.66 TDP1 (0.48) LMNATDP1KMT2AL3MBTL1IDO1
Hydrochloric Acid SCHEMBL29730240 0.66 TDP1 (0.48) LMNATDP1KMT2AL3MBTL1IDO1
Ammonia Solution, Strong SCHEMBL27928251 0.66 TDP1 (0.48) LMNATDP1KMT2AL3MBTL1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043994-A1 Gem-substituted alpha v beta 3 antagonists PHARMACIA CORPORATION 2004-03-04 US disclosed
EP-1313705-A1 GEM-SUBSTITUTED ALPHA V BETA 3 INTEGRIN ANTAGONISTS Pharmacia Corporation (US) 2003-05-28 EP disclosed
US-6531494-B1 Gem-substituted αvβ3 antagonists PHARMACIA CORPORATION 2003-03-11 US disclosed
WO-2002018340-A1 GEM-SUBSTITUTED α v β 3 INTEGRIN ANTAGONISTS PHARMACIA CORPORATION (US) 2002-03-07 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 (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-20040043994-A1 Gem-substituted alpha v beta 3 antagonists CACNG5, ITGAV, ITGA5 LMNA 1617/4885HTT 4293/4885SLC2A1 2491/4885

“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.