SCHEMBL4599178

SCHEMBL4599178

[2H]N1C(=O)C(c2ccc(Cl)cc2)=NC12CCCC([2H])([2H])C2([2H])[2H]

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.43
NEK2 P51955 5/20 0.41
RAB9A P51151 2/20 0.35
AURKA O14965 1/20 0.34
CDK1 P06493 1/20 0.34
PLK1 P53350 1/20 0.34
NEK7 Q8TDX7 1/20 0.34
TDP2 O95551 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL951763 0.90 POLB (0.46) POLBTSHRRECQLNEK2RAB9A
SCHEMBL3839179 0.80 RECQL (0.41) POLBTSHRRECQLNEK2AURKA
SCHEMBL4514851 0.78 POLB (0.72) POLBTSHRRECQLNEK2RAB9A
SCHEMBL951124 0.76 TSHR (0.72) POLBTSHRRECQLNEK2RAB9A
SCHEMBL4599160 0.74 RAB9A (0.46) POLBTSHRRECQLNEK2RAB9A
SCHEMBL4229154 0.74 POLB (0.46) POLBTSHRNEK2RAB9ATDP2
SCHEMBL4443465 0.71 POLB (0.51) POLBTSHRNEK2RAB9ATDP2
SCHEMBL3616164 0.70 MEN1 (0.39) RECQLNEK2KMT2A
SCHEMBL4507443 0.69 MEN1 (0.40) RECQLNEK2KMT2ASMN1; SMN2
SCHEMBL4655140 0.68 POLB (0.48) POLBTSHRRAB9A

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 POLB 4681/4885TSHR 824/4885RECQL 1689/4885

“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.