SCHEMBL998300

SCHEMBL998300

COc1ccccc1C1c2[nH]c3ccccc3c2C2(CC2)CN1C(=O)Nc1cc(C)cc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
PAX8 Q06710 2/20 0.41
TP53 P04637 4/20 0.41
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SHMT2 P34897 1/20 0.37
DRD4 P21917 1/20 0.37
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LHCGR P22888 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
SCHEMBL998141 0.94 ALDH1A1 (0.44) MAPTPAX8TP53NPSR1POLB
SCHEMBL999200 0.93 PAX8 (0.45) MAPTPAX8TP53NPSR1LMNA
SCHEMBL997740 0.92 PAX8 (0.41) MAPTPAX8TP53NPSR1POLB
SCHEMBL999048 0.92 PAX8 (0.45) MAPTPAX8TP53LMNAABCB1
SCHEMBL998636 0.89 ABCB1 (0.49) MAPTPAX8TP53POLBLMNA
SCHEMBL998536 0.88 TP53 (0.53) MAPTPAX8TP53NPSR1POLB
SCHEMBL998229 0.86 ABCG2 (0.50) MAPTPAX8TP53NPSR1ABCB1
SCHEMBL1000385 0.86 TP53 (0.45) MAPTPAX8TP53POLBLMNA
SCHEMBL997501 0.86 TP53 (0.46) MAPTPAX8TP53NPSR1POLB
SCHEMBL998866 0.86 TP53 (0.47) MAPTPAX8TP53NPSR1POLB

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 MAPT 4705/4885PAX8 4531/4885TP53 945/4885

“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.