SCHEMBL4908104

SCHEMBL4908104

O=C(CN1C(=O)C(c2ccc(F)cc2)=NC12CCCC2)Nc1ccccc1F

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.80
ALDH1A1 P00352 3/20 0.76
HTT P42858 1/20 0.76
TP53 P04637 3/20 0.75
MAPT P10636 8/20 0.66
LMNA P02545 2/20 0.58
HPGD P15428 1/20 0.54

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
SCHEMBL4916325 0.90 TP53 (0.84) GAAALDH1A1HTTTP53MAPT
SCHEMBL4913503 0.89 TP53 (0.86) GAAALDH1A1HTTTP53MAPT
SCHEMBL4515396 0.89 GAA (1.00) GAAALDH1A1HTTTP53MAPT
SCHEMBL4912966 0.89 TP53 (0.86) GAAALDH1A1HTTTP53MAPT
SCHEMBL4912470 0.88 GAA (0.78) GAAALDH1A1HTTTP53MAPT
SCHEMBL4910629 0.88 GAA (0.78) GAAALDH1A1HTTTP53MAPT
SCHEMBL4912900 0.88 ALDH1A1 (0.90) GAAALDH1A1HTTTP53MAPT
SCHEMBL4914127 0.86 TP53 (0.98) GAAALDH1A1HTTTP53MAPT
SCHEMBL4914187 0.86 ALDH1A1 (1.00) GAAALDH1A1HTTTP53MAPT
SCHEMBL4907867 0.85 TP53 (1.00) GAAALDH1A1HTTTP53MAPT

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
US-20080221185-A1 Glyt1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders GLAXO GROUP LIMITED (GB) 2008-09-11 US claimed
US-20080221185-A1 Glyt1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders GLAXO GROUP LIMITED (GB) 2008-09-11 US disclosed
US-20080221185-A1 Glyt1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders GLAXO GROUP LIMITED (GB) 2008-09-11 US disclosed
US-20080221185-A1 Glyt1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders GLAXO GROUP LIMITED (GB) 2008-09-11 US disclosed
WO-2007014762-A2 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-02-08 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-20080221185-A1 Glyt1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders SLC18A2, SLC6A3, SLC1A2 GAA 537/4885ALDH1A1 1028/4885HTT 139/4885

“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.