SCHEMBL997625

SCHEMBL997625

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
HHAT Q5VTY9 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KIF11 P52732 3/20 0.42
ABCB1 P08183 2/20 0.40
ABCG2 Q9UNQ0 2/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
PDE4D Q08499 2/20 0.38
HTR2A P28223 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL998781 0.93 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2L3MBTL1KIF11
SCHEMBL1000867 0.91 MAPT (0.42) MAPTALDH1A1SMN1; SMN2L3MBTL1ABCB1
SCHEMBL998363 0.91 KIF11 (0.42) MAPTALDH1A1SMN1; SMN2L3MBTL1KIF11
SCHEMBL2033551 0.90 KIF11 (0.47) MAPTALDH1A1KIF11ABCB1ABCG2
SCHEMBL997805 0.90 ABCG2 (0.45) ALDH1A1KIF11ABCB1ABCG2KDM4E
SCHEMBL2030178 0.90 MAPKAPK2 (0.43) MAPTHHATALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL998964 0.89 ABCG2 (0.45) ALDH1A1KIF11ABCB1ABCG2KDM4E
SCHEMBL2032088 0.89 KIF11 (0.47) MAPTALDH1A1KIF11ABCB1ABCG2
SCHEMBL2031468 0.87 ABCB1 (0.42) MAPTALDH1A1KIF11ABCB1ABCG2
SCHEMBL2031189 0.86 HHAT (0.40) MAPTHHATALDH1A1SMN1; SMN2L3MBTL1

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 4705/4885HHAT 1787/4885ALDH1A1 1422/4885

“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.