SCHEMBL997852

SCHEMBL997852

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

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.57
MAPT P10636 4/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 5/20 0.54
STAT3 P40763 2/20 0.54
TP53 P04637 2/20 0.54
ABCB1 P08183 4/20 0.53
ABCG2 Q9UNQ0 4/20 0.53

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
SCHEMBL998654 0.87 KIF11 (0.70) KIF11MAPTKDM4ELMNASTAT3
SCHEMBL28839639 0.86 LMNA (0.62) KIF11MAPTKDM4ELMNASTAT3
SCHEMBL997869 0.81 KIF11 (0.79) KIF11MAPTKDM4ELMNASTAT3
SCHEMBL1000685 0.79 TP53 (0.61) KIF11MAPTLMNASTAT3TP53
SCHEMBL998058 0.79 TP53 (0.54) KIF11MAPTLMNATP53ABCB1
SCHEMBL998561 0.79 TP53 (0.51) KIF11MAPTLMNATP53
SCHEMBL21309590 0.77 LMNA (0.67) MAPTLMNATP53ABCB1ABCG2
SCHEMBL998412 0.77 MAPT (0.64) KIF11MAPTLMNATP53ABCB1
SCHEMBL21309607 0.77 LMNA (0.64) MAPTLMNATP53ABCB1ABCG2
SCHEMBL21309365 0.77 LMNA (0.61) KIF11MAPTLMNATP53ABCB1

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 KIF11 4760/4885MAPT 4705/4885KDM4E 3424/4885

“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.