SCHEMBL997729

SCHEMBL997729

O=C(Nc1ccc(Cl)cc1Cl)N1CCCc2c([nH]c3ccccc23)C1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
NPSR1 Q6W5P4 2/20 0.61
ALDH1A1 P00352 1/20 0.59
POLB P06746 2/20 0.58
TP53 P04637 1/20 0.54
PKM P14618 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TRPV1 Q8NER1 2/20 0.47
KDM4E B2RXH2 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
LMNA P02545 2/20 0.44
ABCG2 Q9UNQ0 4/20 0.43
ABCB1 P08183 2/20 0.43

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
SCHEMBL1078458 0.93 MAPT (0.61) MAPTNPSR1ALDH1A1POLBTP53
SCHEMBL998962 0.87 MAPT (0.74) MAPTNPSR1ALDH1A1POLBTP53
SCHEMBL998943 0.86 MAPT (0.71) MAPTNPSR1ALDH1A1POLBTP53
SCHEMBL1001047 0.86 MAPT (0.63) MAPTNPSR1ALDH1A1POLBTP53
SCHEMBL1077848 0.86 MAPT (0.70) MAPTNPSR1ALDH1A1POLBTP53
SCHEMBL999921 0.84 MAPT (0.68) MAPTNPSR1ALDH1A1POLBTP53
SCHEMBL997897 0.83 MAPT (0.66) MAPTNPSR1ALDH1A1POLBTP53
SCHEMBL998695 0.83 MAPT (0.66) MAPTNPSR1ALDH1A1POLBTP53
SCHEMBL1078960 0.83 MAPT (0.88) MAPTNPSR1ALDH1A1POLBTP53
SCHEMBL1000078 0.81 MAPT (0.71) MAPTNPSR1ALDH1A1POLBTP53

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 4 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
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 4705/4885NPSR1 275/4885ALDH1A1 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.