SCHEMBL998068

SCHEMBL998068

O=C(Nc1ccccc1)N1CCc2c([nH]c3ccccc23)C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
LMNA P02545 3/20 0.60
CYP3A4 P08684 3/20 0.60
KDM4E B2RXH2 3/20 0.60
HPGD P15428 2/20 0.60
HTR1A P08908 1/20 0.60
CASP1 P29466 1/20 0.60
CASP7 P55210 1/20 0.60
MAPT P10636 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TRPV1 Q8NER1 10/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 2/20 0.49
PKM P14618 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MEN1 O00255 2/20 0.48

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
SCHEMBL998064 0.87 ALDH1A1 (0.55) ALDH1A1LMNACYP3A4KDM4EHPGD
SCHEMBL1000290 0.87 LMNA (0.57) ALDH1A1LMNACYP3A4KDM4EHPGD
SCHEMBL9913668 0.82 KDM4E (0.65) ALDH1A1LMNACYP3A4KDM4EHPGD
SCHEMBL12111749 0.78 KDM4E (0.61) ALDH1A1LMNACYP3A4KDM4EHPGD
SCHEMBL997954 0.76 TRPV1 (0.83) CYP3A4MAPTTRPV1MEN1KMT2A
SCHEMBL2822324 0.75 ALDH1A1 (0.60) ALDH1A1LMNACYP3A4KDM4EHPGD
Rhetsinine SCHEMBL31032978 0.75 KDM4E (1.00) ALDH1A1LMNACYP3A4KDM4EHPGD
Rhetsinine SCHEMBL14478778 0.75 KDM4E (1.00) ALDH1A1LMNACYP3A4KDM4EHPGD
SCHEMBL7851640 0.75 MAPT (0.60) ALDH1A1LMNACYP3A4KDM4EHPGD
SCHEMBL5732240 0.72 TRPV1 (0.49) LMNACYP3A4MAPTNPSR1TRPV1

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
EP-1637521-B1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO (JP) 2013-06-19 EP disclosed
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

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 1422/4885LMNA 528/4885CYP3A4 709/4885

“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.