SCHEMBL998781

SCHEMBL998781

COc1cccc(C2c3[nH]c4ccccc4c3C3(CC3)CN2C(C)=O)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 5/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.41
LMNA P02545 3/20 0.40
KIF11 P52732 1/20 0.40
PKM P14618 1/20 0.39
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39

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
SCHEMBL997625 0.93 MAPT (0.43) ALDH1A1SMN1; SMN2L3MBTL1MAPTKDM4E
SCHEMBL997745 0.91 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2L3MBTL1MAPTKDM4E
SCHEMBL998363 0.88 KIF11 (0.42) ALDH1A1SMN1; SMN2L3MBTL1MAPTKDM4E
SCHEMBL997805 0.86 ABCG2 (0.45) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL2033551 0.86 KIF11 (0.47) ALDH1A1MAPTKDM4EHPGDCASP1
SCHEMBL2032088 0.85 KIF11 (0.47) ALDH1A1MAPTKDM4EHTTLMNA
SCHEMBL998964 0.85 ABCG2 (0.45) ALDH1A1KDM4EGAAKIF11ABCB1
SCHEMBL998141 0.84 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2L3MBTL1MAPTKDM4E
SCHEMBL1000867 0.84 MAPT (0.42) ALDH1A1SMN1; SMN2L3MBTL1MAPTKDM4E
SCHEMBL998052 0.83 ABCG2 (0.56) ALDH1A1MEN1KMT2ALMNAKIF11

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.