SCHEMBL4597955

SCHEMBL4597955

[2H]N1C(=O)C([2H])(c2ccc(OC)cc2)N([2H])C12C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.40
CRBN Q96SW2 2/20 0.40
KDM4E B2RXH2 2/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.35
MAP2K3 P46734 1/20 0.34
GAA P10253 2/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.33
MMP1 P03956 1/20 0.33
MMP13 P45452 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 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
SCHEMBL4519196 0.90 DDB1 (0.37) DDB1CRBNKDM4ETP53ALDH1A1
SCHEMBL3579701 0.83 DDB1 (0.37) DDB1CRBNKDM4ETP53ALDH1A1
SCHEMBL4598784 0.76
SCHEMBL10536959 0.62 KDM4E (0.56) DDB1CRBNKDM4ETP53ALDH1A1
SCHEMBL7167696 0.60 ALDH1A1 (0.67) DDB1CRBNKDM4ETP53ALDH1A1
SCHEMBL6385836 0.60 HPGD (0.53) DDB1CRBNKDM4ETP53ALDH1A1
SCHEMBL27965543 0.59 CRBN (0.71) DDB1CRBNTP53GAATSHR
SCHEMBL14492202 0.59 ALDH1A1 (0.55) DDB1CRBNKDM4EALDH1A1KMT2A
SCHEMBL4520171 0.58 DDB1 (0.46) DDB1CRBNKDM4ETP53ALDH1A1
SCHEMBL19559470 0.58 PDE4A (0.66) DDB1CRBNKDM4EGAAMAP2K1

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 3 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 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

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 DDB1 3201/4885CRBN 3925/4885KDM4E 3370/4885

“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.