SCHEMBL4913757

SCHEMBL4913757

COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cc(OC)cc(OC)c3)C2=O)cc1

nearest known ligand 0.89

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.89
ALDH1A1 P00352 3/20 0.87
LMNA P02545 2/20 0.87
TP53 P04637 4/20 0.80
HPGD P15428 1/20 0.75
GAA P10253 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
HTT P42858 1/20 0.67
NPSR1 Q6W5P4 1/20 0.63

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
SCHEMBL4905608 0.94 MAPT (0.86) MAPTALDH1A1LMNATP53HPGD
SCHEMBL4902617 0.94 MAPT (1.00) MAPTALDH1A1LMNATP53HPGD
SCHEMBL4911109 0.94 MAPT (1.00) MAPTALDH1A1LMNATP53HPGD
SCHEMBL4914125 0.93 MAPT (1.00) MAPTALDH1A1LMNATP53HPGD
SCHEMBL4913742 0.93 MAPT (1.00) MAPTALDH1A1LMNATP53HPGD
SCHEMBL4911741 0.92 MAPT (0.98) MAPTALDH1A1LMNATP53HPGD
SCHEMBL4506171 0.92 MAPT (0.76) MAPTALDH1A1LMNATP53HPGD
SCHEMBL4908621 0.92 ALDH1A1 (0.90) MAPTALDH1A1LMNATP53HPGD
SCHEMBL4526218 0.91 MAPT (0.75) MAPTALDH1A1LMNATP53HPGD
SCHEMBL4520178 0.90 MAPT (0.74) MAPTALDH1A1LMNATP53HPGD

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 MAPT 277/4885ALDH1A1 1028/4885LMNA 4301/4885

“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.