SCHEMBL997876

SCHEMBL997876

COc1ccc2[nH]c3c(c2c1)CCN(C(=O)CSc1ccc(C(F)(F)F)cn1)C3C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPKAPK2 P49137 3/20 0.45
ABCG2 Q9UNQ0 2/20 0.45
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CFTR P13569 1/20 0.42
S1PR1 P21453 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
LIPE Q05469 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
KIF11 P52732 1/20 0.41
MAPKAPK5 Q8IW41 1/20 0.40

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
SCHEMBL998932 0.95 TP53 (0.43) TP53SMN1; SMN2MAPKAPK2ABCG2MAPT
SCHEMBL997835 0.82 TP53 (0.49) TP53SMN1; SMN2MAPKAPK2ABCG2MAPT
SCHEMBL1000404 0.81 MEN1 (0.53) TP53ABCG2MAPTMEN1KMT2A
SCHEMBL998246 0.79 MAPKAPK2 (0.59) TP53SMN1; SMN2MAPKAPK2ABCG2MAPT
SCHEMBL998625 0.78 SIRT1 (0.46) TP53SMN1; SMN2MAPKAPK2MAPTMEN1
SCHEMBL997711 0.77 MAPT (0.67) TP53SMN1; SMN2MAPKAPK2ABCG2MAPT
SCHEMBL1000770 0.75 MAPT (0.62) TP53SMN1; SMN2MAPKAPK2ABCG2MAPT
SCHEMBL998642 0.74 SIRT1 (0.56) TP53SMN1; SMN2MAPKAPK2ABCG2MAPT
SCHEMBL998021 0.73 MAPT (0.61) TP53SMN1; SMN2MAPKAPK2ABCG2MAPT
SCHEMBL997812 0.73 MAPT (0.75) TP53SMN1; SMN2MAPKAPK2ABCG2MAPT

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-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US claimed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP claimed
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 TP53 945/4885SMN1; SMN2 4273/4885MAPKAPK2 3112/4885

“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.