SCHEMBL998561

SCHEMBL998561

O=C(CSc1ccc(C(F)(F)F)cn1)N1CCCc2c([nH]c3ccccc23)C1c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.51
MAPT P10636 3/20 0.49
KIF11 P52732 4/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 5/20 0.46
THRB P10828 1/20 0.45

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
SCHEMBL1000404 0.85 MEN1 (0.53) TP53MAPTPOLBLMNATHRB
SCHEMBL997852 0.79 KIF11 (0.57) TP53MAPTKIF11LMNA
SCHEMBL998654 0.78 KIF11 (0.70) TP53MAPTKIF11LMNA
SCHEMBL998058 0.77 TP53 (0.54) TP53MAPTKIF11LMNATHRB
SCHEMBL999006 0.76 TRPV1 (0.51) MAPTPOLBLMNATHRB
SCHEMBL998932 0.75 TP53 (0.43) TP53MAPTPOLB
SCHEMBL997869 0.72 KIF11 (0.79) TP53MAPTKIF11LMNA
SCHEMBL1000174 0.72 TRPV1 (0.57)
SCHEMBL997876 0.70 TP53 (0.46) TP53MAPTKIF11LMNATHRB
SCHEMBL1000685 0.69 TP53 (0.61) TP53MAPTKIF11POLBLMNA

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 7 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
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-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US 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 945/4885MAPT 4705/4885KIF11 4760/4885

“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.