SCHEMBL1000642

SCHEMBL1000642

CCCCNC(=O)N1CCCc2c([nH]c3ccccc23)C1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.59
MAPT P10636 3/20 0.59
NPSR1 Q6W5P4 2/20 0.59
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
PKM P14618 1/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 3/20 0.47
LMNA P02545 1/20 0.44
BCHE P06276 1/20 0.43
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
STAT3 P40763 1/20 0.40

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
SCHEMBL1000874 0.97 MAPT (0.58) POLBMAPTNPSR1KMT2AMEN1
SCHEMBL999129 0.96 MAPT (0.57) POLBMAPTNPSR1KMT2AMEN1
SCHEMBL6007306 0.85 MAPT (0.65) POLBMAPTNPSR1KMT2AMEN1
SCHEMBL1079130 0.85 MAPT (0.65) POLBMAPTNPSR1KMT2AMEN1
SCHEMBL1000594 0.81 POLB (0.71) POLBMAPTNPSR1KMT2AMEN1
SCHEMBL997783 0.81 MAPT (0.60) POLBMAPTNPSR1KMT2AMEN1
SCHEMBL1078960 0.81 MAPT (0.88) POLBMAPTNPSR1KMT2AMEN1
SCHEMBL997897 0.80 MAPT (0.66) POLBMAPTNPSR1KMT2AMEN1
SCHEMBL997703 0.79 MAPT (0.62) POLBMAPTNPSR1KMT2AMEN1
SCHEMBL1001595 0.78 MAPT (0.76) POLBMAPTNPSR1KMT2AMEN1

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 POLB 1026/4885MAPT 4705/4885NPSR1 275/4885

“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.