SCHEMBL997552

SCHEMBL997552

Cc1cc(C)cc(NC(=O)N2CC3(CCCC3)c3c([nH]c4ccccc34)C2c2cccc(F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 2/20 0.44
TP53 P04637 5/20 0.43
KIF11 P52732 2/20 0.42
MAPT P10636 3/20 0.40
STAT3 P40763 1/20 0.39
LMNA P02545 3/20 0.38
POLB P06746 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
LHCGR P22888 1/20 0.38
PRMT5 O14744 1/20 0.37
EGFR P00533 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
USP2 O75604 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
SHMT2 P34897 1/20 0.36

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
SCHEMBL998373 0.98 PAX8 (0.44) PAX8TP53KIF11MAPTSTAT3
SCHEMBL1000909 0.97 PAX8 (0.45) PAX8TP53KIF11MAPTSTAT3
SCHEMBL998843 0.91 TP53 (0.44) PAX8TP53KIF11MAPTSTAT3
SCHEMBL998711 0.90 TP53 (0.48) PAX8TP53MAPTLMNAPOLB
SCHEMBL997619 0.89 TP53 (0.45) PAX8TP53KIF11MAPTSTAT3
SCHEMBL2033427 0.87 KIF11 (0.44) PAX8TP53KIF11MAPTLMNA
SCHEMBL997308 0.87 ABCG2 (0.47) PAX8TP53KIF11MAPTSTAT3
SCHEMBL997501 0.86 TP53 (0.46) PAX8TP53KIF11MAPTLMNA
SCHEMBL997400 0.86 PAX8 (0.42) PAX8TP53KIF11MAPTPOLB
SCHEMBL996806 0.86 KIF11 (0.41) PAX8TP53KIF11MAPTPOLB

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 5 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 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 PAX8 4531/4885TP53 945/4885KIF11 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.