SCHEMBL4912544

SCHEMBL4912544

COc1cccc(NC(=O)CN2C(=O)C(c3ccc(C)cc3)=NC23CCCCCC3)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
HPGD P15428 1/20 1.00
MAPT P10636 11/20 0.85
TP53 P04637 4/20 0.77
LMNA P02545 2/20 0.74
HTT P42858 1/20 0.61
GAA P10253 1/20 0.60

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
SCHEMBL4916375 1.00 ALDH1A1 (1.00) ALDH1A1HPGDMAPTTP53LMNA
SCHEMBL4908621 0.95 ALDH1A1 (0.90) ALDH1A1HPGDMAPTTP53LMNA
SCHEMBL4907286 0.93 ALDH1A1 (0.87) ALDH1A1HPGDMAPTTP53LMNA
SCHEMBL4913457 0.93 ALDH1A1 (0.87) ALDH1A1HPGDMAPTTP53LMNA
SCHEMBL4911439 0.93 ALDH1A1 (0.86) ALDH1A1HPGDMAPTTP53LMNA
SCHEMBL4911497 0.93 ALDH1A1 (0.86) ALDH1A1HPGDMAPTTP53LMNA
SCHEMBL4911109 0.92 MAPT (1.00) ALDH1A1HPGDMAPTTP53LMNA
SCHEMBL4902617 0.92 MAPT (1.00) ALDH1A1HPGDMAPTTP53LMNA
SCHEMBL4910401 0.92 ALDH1A1 (0.85) ALDH1A1HPGDMAPTTP53LMNA
SCHEMBL4903756 0.91 ALDH1A1 (0.84) ALDH1A1HPGDMAPTTP53LMNA

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 ALDH1A1 1028/4885HPGD 2329/4885MAPT 277/4885

“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.