SCHEMBL13059638

SCHEMBL13059638

Bc1ccc(C2=NC3(CCCCC3)NC2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.72
POLB P06746 1/20 0.70
RAB9A P51151 2/20 0.49
NEK2 P51955 8/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
AURKA O14965 1/20 0.47
CDK1 P06493 1/20 0.47
PLK1 P53350 1/20 0.47
NEK7 Q8TDX7 1/20 0.47

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
SCHEMBL8085658 0.98 POLB (0.72) TSHRPOLBRAB9ANEK2KMT2A
SCHEMBL3306850 0.84 TSHR (0.72) TSHRPOLBRAB9ANEK2KMT2A
SCHEMBL951124 0.84 TSHR (0.72) TSHRPOLBRAB9ANEK2KMT2A
SCHEMBL4598371 0.84 TSHR (0.72) TSHRPOLBRAB9ANEK2KMT2A
SCHEMBL2517729 0.84 TSHR (1.00) TSHRPOLBRAB9ANEK2KMT2A
SCHEMBL13272812 0.84 TSHR (1.00) TSHRPOLBRAB9ANEK2KMT2A
SCHEMBL12911751 0.83 POLB (0.72) TSHRPOLBRAB9ANEK2KMT2A
SCHEMBL3576095 0.83 POLB (0.72) TSHRPOLBRAB9ANEK2AURKA
SCHEMBL4514851 0.83 POLB (0.72) TSHRPOLBRAB9ANEK2KMT2A
SCHEMBL3314734 0.82 TSHR (0.68) TSHRPOLBRAB9ANEK2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317704-A1 SPIRO-CONDENSED IMIDAZOLONE DERIVATIVES INHIBITING THE GLYCINE TRANSPORTER Glaxo Group Limited a corporation 2010-12-16 US disclosed
US-20100113545-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS COULTON STEVEN 2010-05-06 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 (2 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-20100113545-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SLC18A2, SLC6A5, SLC6A2 TSHR 1553/4885POLB 4461/4885RAB9A 1294/4885
US-20100317704-A1 SPIRO-CONDENSED IMIDAZOLONE DERIVATIVES INHIBITING THE GLYCINE TRANSPORTER SLC6A5, SLC6A7, SLC6A3 TSHR 4126/4885POLB 4038/4885RAB9A 1171/4885

“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.