SCHEMBL2000676

SCHEMBL2000676

CCCNC(=O)CCCCCNC(=O)C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.69
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
ALDH1A1 P00352 1/20 0.60
POLB P06746 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CA3 P07451 2/20 0.53
CA5A P35218 2/20 0.53
CA5B Q9Y2D0 2/20 0.53
CASP2 P42575 1/20 0.53
CA12 O43570 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
FAAH O00519 4/20 0.51
NAAA Q02083 1/20 0.50
DNM1 Q05193 2/20 0.49

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
SCHEMBL20179561 0.86 MEN1 (0.65) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL27056159 0.85 MEN1 (0.66) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL28594345 0.84 EPHX1 (0.65) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL16489188 0.84 TSHR (0.67) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL20684934 0.83 MEN1 (0.68) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL10683800 0.82 EPHX1 (1.00) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL10688529 0.82 EPHX1 (1.00) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL10690536 0.82 EPHX1 (1.00) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL13924359 0.82 CASP2 (0.77) EPHX1CASP2FAAHNAAADNM1
SCHEMBL13010044 0.82 EPHX1 (1.00) EPHX1MEN1KMT2AALDH1A1POLB

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-7960543-B2 Nucleoside or nucleotide derivative and use thereof RIKEN (JP) 2011-06-14 US disclosed
US-20090275017-A1 Novel Nucleoside or Nucleotide Derivative and Use Thereof RIKEN (JP) 2009-11-05 US disclosed
EP-1816130-A1 NOVEL NUCLEOSIDE OR NUCLEOTIDE DERIVATIVE AND USE THEREOF Riken (JP) 2007-08-08 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-20090275017-A1 Novel Nucleoside or Nucleotide Derivative and Use Thereof DUT, NT5C3B, NT5C EPHX1 1227/4885MEN1 4465/4885KMT2A 276/4885

“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.