SCHEMBL10108281

SCHEMBL10108281

Cn1c(OC(F)(F)F)nc([N+](=O)[O-])c1CBr

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL867643 0.82 GAA (0.35) GAAALDH1A1KDM4EMAPTHTT
SCHEMBL10108278 0.79 GAA (0.35) GAAALDH1A1KDM4ELMNAMAPT
SCHEMBL10108153 0.78 MAPT (0.32) GAAMAPT
SCHEMBL10102725 0.73 GAA (0.34) GAAALDH1A1KDM4ELMNAMAPT
SCHEMBL867642 0.73 KMT2A (0.41) GAAALDH1A1LMNAMAPTHTT
SCHEMBL10102761 0.72 KDM4E (0.39) GAAALDH1A1KDM4ELMNAMAPT
SCHEMBL10102781 0.71 MAPT (0.39) GAAALDH1A1KDM4ELMNAMAPT
SCHEMBL10102756 0.70 MAPT (0.32) GAAALDH1A1KDM4EMAPT
SCHEMBL10102721 0.70 MAPT (0.32) GAAALDH1A1KDM4EMAPT
SCHEMBL10102752 0.70 KMT2A (0.33) GAAALDH1A1KDM4ELMNAMAPT

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-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 US disclosed
US-9073916-B2 Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-07 US disclosed
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 US 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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K GAA 3805/4885ALDH1A1 3257/4885KDM4E 724/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K GAA 3867/4885ALDH1A1 3205/4885KDM4E 667/4885

“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.