SCHEMBL10102704

SCHEMBL10102704

N#CCCn1cnc([N+](=O)[O-])c1CCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.40
CSNK2A1 P68400 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
ATM Q13315 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.32
NLRP1 Q9C000 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL14696790 0.86 KDM4E (0.47) LMNAKDM4EKMT2AALDH1A1MAPT
SCHEMBL868452 0.86 LMNA (0.44) LMNAKDM4ECSNK2A1KMT2AMEN1
SCHEMBL10102699 0.86 LMNA (0.44) LMNAKDM4ECSNK2A1KMT2AMEN1
SCHEMBL28794242 0.83 LMNA (0.43) LMNAKDM4ECSNK2A1KMT2AMEN1
SCHEMBL10102709 0.79 LMNA (0.49) LMNAKDM4ECSNK2A1KMT2AMEN1
SCHEMBL14713556 0.77 KDM4E (0.43) LMNAKDM4EKMT2AALDH1A1MAPT
SCHEMBL28794244 0.75 LMNA (0.46) LMNAKDM4ECSNK2A1KMT2AALDH1A1
SCHEMBL10108425 0.74 CSNK2A1 (0.40) LMNAKDM4ECSNK2A1KMT2AMEN1
SCHEMBL10102691 0.73 KDM4E (0.61) LMNAKDM4EKMT2AALDH1A1MAPT
SCHEMBL31144984 0.73 KDM4E (0.51) LMNAKDM4ECSNK2A1KMT2AMEN1

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 5 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-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-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 LMNA 1423/4885KDM4E 724/4885CSNK2A1 323/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K LMNA 1877/4885KDM4E 667/4885CSNK2A1 396/4885

“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.