SCHEMBL4444898

SCHEMBL4444898

COc1cc(/C=C2/SC(N3CCN(CCN4CCCC4)CC3)=NC2=O)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
MCHR1 Q99705 1/20 0.56
GRIN1 Q05586 1/20 0.49
GRIN2B Q13224 1/20 0.49
ESRRA P11474 5/20 0.47
MAPT P10636 2/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
FOXM1 Q08050 1/20 0.44

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
SCHEMBL2201942 1.00 MEN1 (0.57) MEN1KMT2AMCHR1GRIN1GRIN2B
SCHEMBL13751613 1.00 MEN1 (0.57) MEN1KMT2AMCHR1GRIN1GRIN2B
SCHEMBL13751718 0.99 MEN1 (0.59) MEN1KMT2AMCHR1GRIN1GRIN2B
SCHEMBL2199950 0.99 MEN1 (0.59) MEN1KMT2AMCHR1GRIN1GRIN2B
SCHEMBL4147297 0.94 MCHR1 (0.55) MEN1KMT2AMCHR1GRIN1GRIN2B
SCHEMBL2199098 0.94 MCHR1 (0.55) MEN1KMT2AMCHR1GRIN1GRIN2B
SCHEMBL13751659 0.94 MCHR1 (0.55) MEN1KMT2AMCHR1GRIN1GRIN2B
SCHEMBL13751720 0.94 MEN1 (0.65) MEN1KMT2AMCHR1ESRRAMAPT
SCHEMBL2200925 0.94 MEN1 (0.65) MEN1KMT2AMCHR1ESRRAMAPT
SCHEMBL4151629 0.94 MEN1 (0.65) MEN1KMT2AMCHR1ESRRAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197870-A1 Pharmaceutical Compositions EXELIXIS, INC. (US) 2009-08-06 US claimed

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 MEN1 3649/4885KMT2A 1309/4885MCHR1 523/4885

“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.