SCHEMBL998625

SCHEMBL998625

COc1ccc(OC)c(SCC(=O)N2CCCc3c([nH]c4ccc(OC)cc34)C2C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.46
TP53 P04637 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPKAPK2 P49137 5/20 0.45
MAPT P10636 4/20 0.44
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
MAPKAPK5 Q8IW41 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
KDR P35968 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL997835 0.95 TP53 (0.49) SIRT1TP53SMN1; SMN2MAPKAPK2MAPT
SCHEMBL999215 0.94 MAPT (0.52) TP53MAPTKMT2AMEN1POLB
SCHEMBL998932 0.83 TP53 (0.43) SIRT1TP53SMN1; SMN2MAPKAPK2MAPT
SCHEMBL998642 0.82 SIRT1 (0.56) SIRT1TP53SMN1; SMN2MAPKAPK2MAPT
SCHEMBL998058 0.78 TP53 (0.54) TP53MAPT
SCHEMBL997876 0.78 TP53 (0.46) TP53SMN1; SMN2MAPKAPK2MAPTMAPKAPK5
SCHEMBL998493 0.77 MAPT (0.73) SIRT1TP53SMN1; SMN2MAPKAPK2MAPT
SCHEMBL998246 0.76 MAPKAPK2 (0.59) SIRT1TP53SMN1; SMN2MAPKAPK2MAPT
SCHEMBL998530 0.74 MAPT (0.61) SIRT1TP53SMN1; SMN2MAPKAPK2MAPT
SCHEMBL6004236 0.73 MAPT (0.60) SIRT1TP53SMN1; SMN2MAPKAPK2MAPT

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 SIRT1 241/4885TP53 945/4885SMN1; SMN2 4273/4885

“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.