SCHEMBL998419

SCHEMBL998419

COc1ccc(C2c3[nH]c4ncccc4c3CCN2C(=O)Nc2cc(C)cc(C)c2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
TP53 P04637 4/20 0.50
LHCGR P22888 1/20 0.47
STAT3 P40763 2/20 0.44
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.42
ABCB1 P08183 2/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
KIF11 P52732 1/20 0.40

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
SCHEMBL999190 0.94 MAPT (0.50) MAPTTP53LHCGRSTAT3RAB9A
SCHEMBL998433 0.91 MAPT (0.49) MAPTTP53LHCGRALDH1A1KDM4E
SCHEMBL1001191 0.89 ALDH1A1 (0.49) MAPTTP53LHCGRALDH1A1GAA
SCHEMBL2035660 0.89 MAPT (0.53) MAPTTP53LHCGRABCB1ABCG2
SCHEMBL998361 0.89 MAPT (0.62) MAPTTP53LHCGRALDH1A1ABCB1
SCHEMBL997538 0.89 MAPT (0.46) MAPTTP53LHCGRABCB1ABCG2
SCHEMBL1000508 0.87 TP53 (0.53) MAPTTP53LHCGRALDH1A1ABCB1
SCHEMBL996851 0.87 STAT3 (0.49) MAPTTP53STAT3RAB9AALDH1A1
SCHEMBL998891 0.87 STAT3 (0.49) MAPTTP53STAT3RAB9AALDH1A1
SCHEMBL998055 0.85 ABCB1 (0.53) MAPTTP53LHCGRABCB1ABCG2

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 4705/4885TP53 945/4885LHCGR 1338/4885

“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.