SCHEMBL787130

SCHEMBL787130

COc1ccc2c(=O)n(C3CCCC3)sc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPI P34949 3/20 1.00
MIF P14174 3/20 0.51
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
PMM2 O15305 2/20 0.45
PHOSPHO1 Q8TCT1 1/20 0.45
G6PD P11413 1/20 0.40
DYRK1A Q13627 1/20 0.39
CES2 O00748 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL804299 0.81 MPI (0.67) MPICYP1A2CYP2C9
SCHEMBL804302 0.79 MPI (0.65) MPICYP1A2CYP2C9HRH3
SCHEMBL787281 0.78 MPI (0.64) MPIMIFCYP1A2CYP2C9
SCHEMBL787280 0.76 MPI (0.60) MPICYP1A2CYP2C9
SCHEMBL21687127 0.76 MPI (0.60) MPIMIFPMM2PHOSPHO1G6PD
SCHEMBL2371330 0.75 MPI (0.59) MPICYP1A2CYP2C9HRH3
SCHEMBL805880 0.75 MPI (0.60) MPICYP1A2CYP2C9
SCHEMBL787586 0.75 MPI (0.58) MPICYP1A2CYP2C9
SCHEMBL787371 0.75 CYP1A2 (0.64) MPICYP1A2CYP2C9
SCHEMBL21033019 0.74 MPI (0.58) MPIPMM2PHOSPHO1G6PD

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-8748632-B2 Positive allosteric modulators of group II mGluRs SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-10 US disclosed
US-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-03-22 US disclosed
WO-2011116356-A2 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-22 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-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS GRM2, GRM1, GRIN2C MPI 4265/4885MIF 4754/4885CYP1A2 3286/4885

“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.