SCHEMBL998427

SCHEMBL998427

Cc1cc(C)cc(NC(=O)N2CCc3c([nH]c4ccccc34)C2c2ccccc2[Si](C)(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.60
SHMT2 P34897 1/20 0.57
MAPT P10636 6/20 0.56
LMNA P02545 3/20 0.55
POLB P06746 2/20 0.53
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 2/20 0.49
KIF11 P52732 2/20 0.49
STAT3 P40763 1/20 0.48
ABCG2 Q9UNQ0 3/20 0.48
ABCB1 P08183 2/20 0.48
RAB9A P51151 1/20 0.47

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
SCHEMBL998179 0.86 TP53 (0.69) TP53SHMT2MAPTLMNAPOLB
SCHEMBL997821 0.85 TP53 (0.63) TP53SHMT2MAPTLMNAPOLB
SCHEMBL1001456 0.83 KIF11 (0.61) MAPTLMNAPOLBNPSR1ALDH1A1
SCHEMBL996864 0.82 ABCG2 (0.53) TP53MAPTPOLBALDH1A1STAT3
SCHEMBL999105 0.80 TP53 (0.64) TP53SHMT2MAPTLMNAPOLB
SCHEMBL997584 0.77 TP53 (0.60) TP53SHMT2MAPTLMNAPOLB
SCHEMBL998433 0.76 MAPT (0.49) TP53SHMT2MAPTLMNAPOLB
SCHEMBL998704 0.75 KIF11 (0.58) TP53SHMT2MAPTPOLBKIF11
SCHEMBL9928868 0.74 LMNA (0.74) TP53MAPTLMNAPOLBNPSR1
SCHEMBL997330 0.74 TP53 (0.66) TP53SHMT2MAPTLMNAPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 945/4885SHMT2 579/4885MAPT 4705/4885

“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.