SCHEMBL998171

SCHEMBL998171

COc1cccc(C2c3[nH]c4ncccc4c3CCN2C(C)=O)c1OC

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 5/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 1/20 0.43
KIF11 P52732 3/20 0.43
LMNA P02545 3/20 0.43
HHAT Q5VTY9 1/20 0.42
TP53 P04637 2/20 0.42
ADRA1B P35368 1/20 0.41
STAT3 P40763 1/20 0.41

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
SCHEMBL998102 0.93 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL996807 0.89 KIF11 (0.46) ALDH1A1SMN1; SMN2L3MBTL1MAPTNPSR1
SCHEMBL998891 0.86 STAT3 (0.49) ALDH1A1MAPTNPSR1GAAKIF11
SCHEMBL1001191 0.86 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL997912 0.84 TSHR (0.48) ALDH1A1MAPTGAAKIF11TP53
SCHEMBL996707 0.84 MAPT (0.47) ALDH1A1SMN1; SMN2L3MBTL1MAPTNPSR1
SCHEMBL998096 0.82 ABCG2 (0.59) MAPTKIF11LMNATP53
SCHEMBL997315 0.82 ABCB1 (0.47) ALDH1A1L3MBTL1MAPTNPSR1GAA
SCHEMBL998488 0.82 ABCB1 (0.56) ALDH1A1L3MBTL1MAPTNPSR1GAA
SCHEMBL997680 0.81 STAT3 (0.47) ALDH1A1MAPTNPSR1GAAKIF11

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 ALDH1A1 1422/4885SMN1; SMN2 4273/4885L3MBTL1 830/4885

“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.