SCHEMBL2200131

SCHEMBL2200131

COc1cc(C=C2SC(N3CCN(C)CC3)=NC2=O)ccc1OCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.77
GRIN1 Q05586 3/20 0.64
GRIN2B Q13224 3/20 0.64
MAPT P10636 2/20 0.64
HPGD P15428 2/20 0.64
POLB P06746 1/20 0.64
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
CISD1 Q9NZ45 1/20 0.57
ENPP2 Q13822 2/20 0.56
ALDH1A1 P00352 1/20 0.54
THRB P10828 1/20 0.54
AKR1B1 P15121 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GAA P10253 1/20 0.53
GFER P55789 1/20 0.53
PTPN1 P18031 1/20 0.52

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
SCHEMBL2200126 1.00 MCHR1 (0.77) MCHR1GRIN1GRIN2BMAPTHPGD
SCHEMBL4147326 1.00 MCHR1 (0.77) MCHR1GRIN1GRIN2BMAPTHPGD
SCHEMBL8268139 0.91 MCHR1 (0.74) MCHR1GRIN1GRIN2BMAPTHPGD
SCHEMBL2198398 0.91 MCHR1 (0.74) MCHR1GRIN1GRIN2BMAPTHPGD
SCHEMBL2198405 0.91 MCHR1 (0.74) MCHR1GRIN1GRIN2BMAPTHPGD
SCHEMBL2201205 0.91 MCHR1 (0.74) MCHR1GRIN1GRIN2BMAPTHPGD
SCHEMBL2201208 0.91 MCHR1 (0.74) MCHR1GRIN1GRIN2BMAPTHPGD
SCHEMBL4364816 0.90 MEN1 (0.62) MCHR1GRIN1GRIN2BMAPTHPGD
SCHEMBL4364812 0.90 MEN1 (0.62) MCHR1GRIN1GRIN2BMAPTHPGD
SCHEMBL12510796 0.89 MCHR1 (0.70) MCHR1GRIN1GRIN2BMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197870-A1 Pharmaceutical Compositions EXELIXIS, INC. (US) 2009-08-06 US claimed
US-7977489-B2 Benzylthiazolone inhibitors of estrogen-related receptors (ERR) EXELIXIS, INC. (US) 2011-07-12 US disclosed
US-20090197870-A1 Pharmaceutical Compositions EXELIXIS, INC. (US) 2009-08-06 US disclosed
US-20090197870-A1 Pharmaceutical Compositions EXELIXIS, INC. (US) 2009-08-06 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 (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-20090197870-A1 Pharmaceutical Compositions ESRRA, ESRRB, ESR2 MCHR1 523/4885GRIN1 488/4885GRIN2B 668/4885

“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.