SCHEMBL12911751

SCHEMBL12911751

Cc1ccc(C2=NC3(CCCC3)NC2=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.72
TSHR P16473 1/20 0.69
RAB9A P51151 2/20 0.68
NEK2 P51955 7/20 0.67
ALDH1A1 P00352 1/20 0.61
AURKA O14965 1/20 0.51
CDK1 P06493 1/20 0.51
PLK1 P53350 1/20 0.51
NEK7 Q8TDX7 1/20 0.51
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4598371 0.98 TSHR (0.72) POLBTSHRRAB9ANEK2ALDH1A1
SCHEMBL4514851 0.84 POLB (0.72) POLBTSHRRAB9ANEK2AURKA
SCHEMBL3576095 0.84 POLB (0.72) POLBTSHRRAB9ANEK2AURKA
SCHEMBL8085658 0.84 POLB (0.72) POLBTSHRRAB9ANEK2AURKA
SCHEMBL4522111 0.83 POLB (0.67) POLBTSHRRAB9ANEK2ALDH1A1
SCHEMBL13059638 0.83 TSHR (0.72) POLBTSHRRAB9ANEK2AURKA
SCHEMBL951124 0.83 TSHR (0.72) POLBTSHRRAB9ANEK2AURKA
SCHEMBL3306850 0.83 TSHR (0.72) POLBTSHRRAB9ANEK2AURKA
SCHEMBL2517729 0.82 TSHR (1.00) POLBTSHRRAB9ANEK2ALDH1A1
SCHEMBL13272812 0.82 TSHR (1.00) POLBTSHRRAB9ANEK2ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009440-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS MARSHALL HOWARD ROBERT 2011-01-13 US 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-20110009440-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SLC18A2, SLC1A2, SLC1A1 POLB 4489/4885TSHR 1437/4885RAB9A 469/4885

“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.