SCHEMBL4597022

SCHEMBL4597022

Cc1cccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC23CCCCC3)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 1.00
GAA P10253 2/20 0.74
ALDH1A1 P00352 3/20 0.69
HTT P42858 1/20 0.69
MAPT P10636 8/20 0.61
HPGD P15428 1/20 0.59
LMNA P02545 2/20 0.56

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
SCHEMBL4907867 1.00 TP53 (1.00) TP53GAAALDH1A1HTTMAPT
SCHEMBL4914127 0.99 TP53 (0.98) TP53GAAALDH1A1HTTMAPT
SCHEMBL4912966 0.93 TP53 (0.86) TP53GAAALDH1A1HTTMAPT
SCHEMBL4913503 0.93 TP53 (0.86) TP53GAAALDH1A1HTTMAPT
SCHEMBL4916325 0.92 TP53 (0.84) TP53GAAALDH1A1HTTMAPT
SCHEMBL4907643 0.91 TP53 (0.83) TP53GAAALDH1A1HTTMAPT
SCHEMBL4912470 0.86 GAA (0.78) TP53GAAALDH1A1HTTMAPT
SCHEMBL4910629 0.86 GAA (0.78) TP53GAAALDH1A1HTTMAPT
SCHEMBL4908104 0.85 GAA (0.80) TP53GAAALDH1A1HTTMAPT
SCHEMBL4911374 0.85 TP53 (0.74) TP53GAAALDH1A1HTTMAPT

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 7 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
EP-1910311-A2 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-04-16 EP 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
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 TP53 4008/4885GAA 537/4885ALDH1A1 1028/4885

“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.