SCHEMBL10108280

SCHEMBL10108280

Cn1c([S+](C)[O-])nc([N+](=O)[O-])c1CBr

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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
SCHEMBL10102725 0.80 GAA (0.34) MAPTPOLBHTTGAAALDH1A1
SCHEMBL867642 0.77 KMT2A (0.41) MAPTPOLBHTTGAAALDH1A1
SCHEMBL10108285 0.77 KDM4E (0.33) MAPTPOLBHTTGAAALDH1A1
SCHEMBL10102761 0.76 KDM4E (0.39) MAPTPOLBHTTGAAALDH1A1
SCHEMBL10102781 0.74 MAPT (0.39) MAPTPOLBHTTGAAALDH1A1
SCHEMBL867643 0.73 GAA (0.35) MAPTPOLBHTTGAAALDH1A1
SCHEMBL10102721 0.73 MAPT (0.32) MAPTGAAALDH1A1
SCHEMBL10102756 0.73 MAPT (0.32) MAPTGAAALDH1A1
SCHEMBL10108153 0.72 MAPT (0.32) MAPTGAA
SCHEMBL11903308 0.72 KMT2A (0.34) MAPTPOLBHTTGAAALDH1A1

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 MAPT 3315/4885POLB 1905/4885HTT 3450/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K MAPT 3259/4885POLB 2282/4885HTT 3186/4885

“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.