SCHEMBL10102638

SCHEMBL10102638

CC(C)(C)c1ccc2nc(-c3ccsc3)c(CCCO)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 14/20 0.42
GRM1 Q13255 1/20 0.41
SCN10A Q9Y5Y9 2/20 0.34
BACE1 P56817 1/20 0.32
KCNH2 Q12809 1/20 0.32
RORC P51449 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
SCHEMBL10102644 0.89 GPBAR1 (0.42) GPBAR1GRM1BACE1KCNH2
SCHEMBL13005210 0.83 AKT1 (0.39) SCN10A
SCHEMBL10102640 0.83 HRH4 (0.41) GPBAR1GRM1KCNH2
SCHEMBL10102661 0.80 GPBAR1 (0.41) GPBAR1GRM1BACE1KCNH2
SCHEMBL10102633 0.80 RPS6KB2 (0.40) GPBAR1SCN10A
SCHEMBL3386183 0.80 PIK3CG (0.40) SCN10A
SCHEMBL10102660 0.79 IDO1 (0.44) GPBAR1GRM1
SCHEMBL10102655 0.79 PDE4B (0.37) BACE1
SCHEMBL10107980 0.78 SCN10A (0.35) SCN10AKCNH2
SCHEMBL13005209 0.76 SCN10A (0.34) SCN10AKCNH2

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-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
US-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 MERCK PATENT GMBH (DE) 2008-08-21 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-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 KIF5A, KIF5C, KIF5B GPBAR1 2259/4885GRM1 477/4885SCN10A 2031/4885

“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.