SCHEMBL787281

SCHEMBL787281

O=c1c2ccc(O)cc2sn1C1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.64
MIF P14174 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
ESR1 P03372 3/20 0.38
ESR2 Q92731 1/20 0.38
GAA P10253 1/20 0.36
CDK4 P11802 1/20 0.35

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
SCHEMBL787130 0.78 MPI (1.00) MPIMIFCYP1A2CYP2C9
SCHEMBL21033019 0.78 MPI (0.58) MPICDK4
SCHEMBL8621565 0.76 MPI (0.57) MPIGAACDK4
SCHEMBL804302 0.72 MPI (0.65) MPICYP1A2CYP2C9
SCHEMBL805880 0.71 MPI (0.60) MPICYP1A2CYP2C9
SCHEMBL787519 0.71 CYP1A2 (0.63) MPICYP1A2CYP2C9
SCHEMBL28348926 0.70 G6PD (0.56) MPIMIFCYP1A2CYP2C9ESR1
SCHEMBL787371 0.70 CYP1A2 (0.64) MPICYP1A2CYP2C9
SCHEMBL30434260 0.70 CASP3 (0.52) MPI
SCHEMBL28457777 0.70 CASP3 (0.52) MPI

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 8 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-8748632-B2 Positive allosteric modulators of group II mGluRs SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-10 US disclosed
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
US-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-03-22 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
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.