SCHEMBL998530

SCHEMBL998530

COc1ccc2[nH]c3c(c2c1)CCCN(C(=O)Nc1ccccc1F)C3C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
TP53 P04637 4/20 0.53
NPSR1 Q6W5P4 3/20 0.51
POLB P06746 2/20 0.51
TDP1 Q9NUW8 1/20 0.49
SIRT1 Q96EB6 1/20 0.47
MAPKAPK2 P49137 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
MAPKAPK5 Q8IW41 1/20 0.43

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
SCHEMBL998493 0.92 MAPT (0.73) MAPTTP53NPSR1POLBSIRT1
SCHEMBL6004236 0.91 MAPT (0.60) MAPTTP53NPSR1POLBSIRT1
SCHEMBL998795 0.84 MAPT (0.56) MAPTTP53NPSR1POLBSIRT1
SCHEMBL998332 0.83 MAPT (0.74) MAPTTP53NPSR1POLBSIRT1
SCHEMBL998642 0.83 SIRT1 (0.56) MAPTTP53POLBSIRT1MAPKAPK2
SCHEMBL1000924 0.82 MAPT (0.62) MAPTTP53NPSR1POLBMAPKAPK2
SCHEMBL999602 0.82 MAPT (0.67) MAPTTP53NPSR1POLBMAPKAPK2
SCHEMBL999928 0.81 MAPT (0.89) MAPTNPSR1POLBSMN1; SMN2ALDH1A1
SCHEMBL996854 0.81 MAPT (0.71) MAPTTP53NPSR1POLBALDH1A1
SCHEMBL997812 0.81 MAPT (0.75) MAPTTP53NPSR1POLBSIRT1

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
EP-1637521-B1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO (JP) 2013-06-19 EP disclosed
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP 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-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS MAPT 4705/4885TP53 945/4885NPSR1 275/4885

“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.