SCHEMBL2198405

SCHEMBL2198405

COc1cc(C=C2SC(N3CCN(C)CC3)=NC2=O)ccc1OCc1ccc(F)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.74
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
MAPT P10636 2/20 0.57
POLB P06746 1/20 0.57
HPGD P15428 1/20 0.57
ENPP2 Q13822 4/20 0.55
GRIN1 Q05586 2/20 0.53
GRIN2B Q13224 2/20 0.53
GAA P10253 1/20 0.51
GFER P55789 1/20 0.51
ALDH1A1 P00352 1/20 0.49
THRB P10828 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.48
CISD1 Q9NZ45 1/20 0.48

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
SCHEMBL2198398 1.00 MCHR1 (0.74) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL8268139 1.00 MCHR1 (0.74) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL4147326 0.91 MCHR1 (0.77) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL2200131 0.91 MCHR1 (0.77) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL2200126 0.91 MCHR1 (0.77) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL12510796 0.91 MCHR1 (0.70) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL2199390 0.91 MCHR1 (0.70) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL2199387 0.91 MCHR1 (0.70) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL2202275 0.86 MCHR1 (0.72) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL8267290 0.86 MCHR1 (0.72) MCHR1MEN1KMT2AMAPTPOLB

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 6 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

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.