SCHEMBL4151629

SCHEMBL4151629

COc1cc(/C=C2/SC(N3CCCC3)=NC2=O)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.65
KMT2A Q03164 8/20 0.65
MCHR1 Q99705 1/20 0.57
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 2/20 0.50
HPGD P15428 1/20 0.50
ESRRA P11474 4/20 0.49
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49
FOXM1 Q08050 1/20 0.48
ALOX5 P09917 1/20 0.47

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
SCHEMBL13751720 1.00 MEN1 (0.65) MEN1KMT2AMCHR1MAPTALDH1A1
SCHEMBL2200925 1.00 MEN1 (0.65) MEN1KMT2AMCHR1MAPTALDH1A1
SCHEMBL4163708 0.99 MEN1 (0.67) MEN1KMT2AMCHR1MAPTALDH1A1
SCHEMBL2200716 0.99 MEN1 (0.67) MEN1KMT2AMCHR1MAPTALDH1A1
SCHEMBL4444898 0.94 MEN1 (0.57) MEN1KMT2AMCHR1MAPTALDH1A1
SCHEMBL2201942 0.94 MEN1 (0.57) MEN1KMT2AMCHR1MAPTALDH1A1
SCHEMBL13751613 0.94 MEN1 (0.57) MEN1KMT2AMCHR1MAPTALDH1A1
SCHEMBL2197536 0.94 MEN1 (0.56) MEN1KMT2AMCHR1MAPTALDH1A1
SCHEMBL5613976 0.94 MCHR1 (0.67) MEN1KMT2AMCHR1MAPTALDH1A1
SCHEMBL4155716 0.94 MEN1 (0.56) MEN1KMT2AMCHR1MAPTALDH1A1

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.