SCHEMBL10108285

SCHEMBL10108285

Cc1c([N+](=O)[O-])nc([S+](C)[O-])n1C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 4/20 0.31
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 2/20 0.30
RAB9A P51151 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
SCHEMBL10108280 0.77 MAPT (0.32) ALDH1A1MAPTPOLBHTTGAA
SCHEMBL10102727 0.76 MAPT (0.36) KDM4EALDH1A1MAPTL3MBTL1POLB
SCHEMBL64091 0.75 ALDH1A1 (0.42) KDM4EALDH1A1MAPTL3MBTL1POLB
SCHEMBL10102759 0.72 KDM4E (0.43) KDM4EALDH1A1MAPTL3MBTL1HTT
SCHEMBL10108154 0.70 KDM4E (0.34) KDM4EALDH1A1L3MBTL1HTTATM
SCHEMBL10108283 0.69 KMT2A (0.35) KDM4EALDH1A1MAPTL3MBTL1POLB
SCHEMBL16882296 0.69 ALDH1A1 (0.35) KDM4EALDH1A1MAPTL3MBTL1POLB
SCHEMBL11965415 0.69 KDM4E (0.33) KDM4EALDH1A1L3MBTL1ATMGAA
SCHEMBL10102755 0.69 KDM4E (0.33) KDM4EALDH1A1L3MBTL1ATMGAA
SCHEMBL7053245 0.68 ALDH1A1 (0.41) KDM4EALDH1A1MAPTL3MBTL1POLB

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 KDM4E 724/4885ALDH1A1 3257/4885MAPT 3315/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K KDM4E 667/4885ALDH1A1 3205/4885MAPT 3259/4885

“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.