SCHEMBL7863546

SCHEMBL7863546

O=S(=O)(NCCCCNCc1cccc2nccn12)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.39
EPHX1 P07099 1/20 0.36
IDO1 P14902 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
F13A1 P00488 4/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
CHEK1 O14757 1/20 0.32
MAP4K4 O95819 1/20 0.32
CSF1R P07333 1/20 0.32
PRKACA P17612 1/20 0.32
KDR P35968 1/20 0.32
CDK8 P49336 1/20 0.32
MAP2K1 Q02750 1/20 0.32
ACVR1 Q04771 1/20 0.32
MAP4K2 Q12851 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL7872382 0.99 NPY5R (0.40) NPY5REPHX1IDO1EGLN1F13A1
SCHEMBL7863412 0.98 NPY5R (0.36) NPY5REPHX1IDO1EGLN1F13A1
SCHEMBL9002425 0.81 IDO1 (0.40) NPY5REPHX1IDO1EGLN1F13A1
SCHEMBL7872292 0.80 EPHX1 (0.37) NPY5REPHX1IDO1EGLN1CNR1
SCHEMBL7870358 0.80 CA2 (0.43) NPY5REGLN1KMT2ACA2CA1
SCHEMBL9002271 0.80 NPY5R (0.41) NPY5REPHX1IDO1EGLN1F13A1
SCHEMBL9002354 0.80 NPY5R (0.41) NPY5REPHX1IDO1EGLN1F13A1
SCHEMBL7868728 0.80 CA3 (0.43) EPHX1EGLN1MEN1KMT2ACHEK1
SCHEMBL9001957 0.79 IDO1 (0.43) NPY5REPHX1IDO1EGLN1F13A1
SCHEMBL9002287 0.79 NPY5R (0.38) NPY5REPHX1IDO1EGLN1F13A1

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
US-20010051631-A1 Tricyclic compounds, their production and use TAKATANI MUNEO (JP) 2001-12-13 US disclosed
US-6251905-B1 Tricyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 US disclosed
EP-0771319-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-05-07 EP disclosed
WO-1996002542-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-01 WO 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-20010051631-A1 Tricyclic compounds, their production and use PDGFA, HGF, REN NPY5R 1237/4885EPHX1 393/4885IDO1 795/4885

“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.