SCHEMBL2001127

SCHEMBL2001127

C#CCNC(=O)CCCCCNC(=O)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
EPHX1 P07099 1/20 0.56
CA3 P07451 2/20 0.50
CA5A P35218 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.43
HDAC8 Q9BY41 5/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39

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
SCHEMBL10021727 0.81 FAAH (0.50) MEN1KMT2ASMN1; SMN2L3MBTL1HDAC8
SCHEMBL2000676 0.81 EPHX1 (0.69) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL20684934 0.80 MEN1 (0.68) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL20179561 0.79 MEN1 (0.65) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL27056159 0.79 MEN1 (0.66) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL9369234 0.78 MEN1 (0.70) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL6815862 0.78 MEN1 (0.70) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL16489188 0.78 TSHR (0.67) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL26315776 0.78 EPHX2 (0.57) MEN1KMT2AL3MBTL1CASP2EPHX2
SCHEMBL68609 0.77 SMN1; SMN2 (0.50) MEN1KMT2AALDH1A1POLBSMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1970445-B1 METHOD FOR NUCLEIC ACID REPLICATION AND NOVEL ARTIFICIAL BASE PAIRS RIKEN (JP) 2012-09-26 EP disclosed
US-8030478-B2 Method for nucleic acid replication and novel artificial base pairs RIKEN (JP) 2011-10-04 US disclosed
US-7960543-B2 Nucleoside or nucleotide derivative and use thereof RIKEN (JP) 2011-06-14 US disclosed
US-20100036111-A1 METHOD FOR REPLICATING NUCLEIC ACIDS AND NOVEL UNNATURAL BASE PAIRS RIKEN (JP) 2010-02-11 US disclosed
US-20090275017-A1 Novel Nucleoside or Nucleotide Derivative and Use Thereof RIKEN (JP) 2009-11-05 US disclosed
EP-1970445-A1 METHOD FOR NUCLEIC ACID REPLICATION AND NOVEL ARTIFICIAL BASE PAIRS Riken (JP) 2008-09-17 EP 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 (2 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 MEN1 4465/4885KMT2A 276/4885ALDH1A1 2280/4885
US-20100036111-A1 METHOD FOR REPLICATING NUCLEIC ACIDS AND NOVEL UNNATURAL BASE PAIRS POLM, POLL, POLRMT MEN1 4033/4885KMT2A 1033/4885ALDH1A1 2586/4885

“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.