SCHEMBL2199730

SCHEMBL2199730

COc1cc(C=C2SC(N3CCN(C)CC3)=NC2=O)ccc1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.82
MEN1 O00255 10/20 0.78
KMT2A Q03164 10/20 0.78
GAA P10253 2/20 0.78
GFER P55789 1/20 0.78
GRIN1 Q05586 1/20 0.73
GRIN2B Q13224 1/20 0.73
ENPP2 Q13822 1/20 0.65
PSMD14 O00487 1/20 0.61
MAPT P10636 3/20 0.59
HPGD P15428 2/20 0.59
POLB P06746 2/20 0.59
ALDH1A1 P00352 2/20 0.57
HKDC1 Q2TB90 1/20 0.57
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
THRB P10828 1/20 0.54
GSK3B P49841 2/20 0.54
CDC7 O00311 1/20 0.54
DAPK3 O43293 1/20 0.54

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
SCHEMBL2199726 1.00 MCHR1 (0.82) MCHR1MEN1KMT2AGAAGFER
SCHEMBL822697 0.96 MEN1 (0.84) MCHR1MEN1KMT2AGAAGFER
SCHEMBL822507 0.91 MEN1 (0.76) MCHR1MEN1KMT2AGAAGFER
SCHEMBL4352294 0.89 MEN1 (0.78) MCHR1MEN1KMT2AGAAGFER
SCHEMBL4352297 0.89 MEN1 (0.78) MCHR1MEN1KMT2AGAAGFER
SCHEMBL4355372 0.89 GRIN1 (0.78) MCHR1MEN1KMT2AGAAGFER
SCHEMBL4355367 0.89 GRIN1 (0.78) MCHR1MEN1KMT2AGAAGFER
SCHEMBL4348152 0.88 MEN1 (0.76) MCHR1MEN1KMT2AGAAGFER
SCHEMBL4348827 0.88 MEN1 (0.76) MCHR1MEN1KMT2AGAAGFER
SCHEMBL4348150 0.88 MEN1 (0.76) MCHR1MEN1KMT2AGAAGFER

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-20090197870-A1 Pharmaceutical Compositions EXELIXIS, INC. (US) 2009-08-06 US claimed
EP-1805154-A2 PHARMACEUTICAL COMPOSITIONS Exelixis, Inc. (US) 2007-07-11 EP claimed
WO-2006047269-A2 PHARMACEUTICAL COMPOSITIONS EXELIXIS, INC. (US) 2006-05-04 WO 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
EP-1805154-A2 PHARMACEUTICAL COMPOSITIONS Exelixis, Inc. (US) 2007-07-11 EP disclosed
WO-2006047269-A2 PHARMACEUTICAL COMPOSITIONS EXELIXIS, INC. (US) 2006-05-04 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-20090197870-A1 Pharmaceutical Compositions ESRRA, ESRRB, ESR2 MCHR1 523/4885MEN1 3649/4885KMT2A 1309/4885

“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.