SCHEMBL2553550

SCHEMBL2553550

CC(C)N1CCN(c2ccc([N+](=O)[O-])c(N)c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.72
SIRT6 Q8N6T7 4/20 0.72
LMNA P02545 2/20 0.69
RECQL P46063 1/20 0.64
CYP1A2 P05177 4/20 0.51
CYP2C19 P33261 4/20 0.51
CYP2C9 P11712 3/20 0.51
CYP3A4 P08684 1/20 0.51
HPGD P15428 2/20 0.49
HTR6 P50406 1/20 0.48
ALDH1A1 P00352 7/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL16654078 0.89 MAPT (0.57) MAPTSIRT6LMNARECQLCYP1A2
SCHEMBL26112176 0.86 MAPT (0.55) MAPTSIRT6LMNARECQLCYP1A2
SCHEMBL31299602 0.86 MAPT (0.55) MAPTSIRT6LMNARECQLCYP1A2
SCHEMBL15642893 0.84 HPGD (0.69) MAPTSIRT6LMNACYP1A2CYP2C19
SCHEMBL77148 0.84 SIRT6 (1.00) MAPTSIRT6LMNARECQLHTR6
SCHEMBL22174793 0.83 MAPT (0.51) MAPTSIRT6LMNACYP1A2CYP2C19
SCHEMBL22652197 0.83 MAPT (0.51) MAPTSIRT6LMNACYP1A2CYP2C19
SCHEMBL13981521 0.83 SIRT6 (0.72) MAPTSIRT6LMNACYP1A2CYP2C19
SCHEMBL3109069 0.82 LMNA (1.00) MAPTSIRT6LMNARECQLCYP1A2
SCHEMBL30059159 0.82 LMNA (1.00) MAPTSIRT6LMNARECQLCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46943-E1 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2018-07-10 US disclosed
US-RE46943-E1 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2018-07-10 US disclosed
US-RE46943-E1 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2018-07-10 US disclosed
EP-2556058-B1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INST (AU) 2017-06-14 EP disclosed
EP-2556058-B1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INST (AU) 2017-06-14 EP disclosed
WO-2017008708-A1 METHOD FOR PREPARING INDAZOLE COMPOUND AND USE THEREOF 中国科学院上海药物研究所 2017-01-19 WO disclosed
US-8999993-B2 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2015-04-07 US disclosed
US-8999993-B2 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2015-04-07 US disclosed
US-8999993-B2 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2015-04-07 US disclosed
US-20130109678-A1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2013-05-02 US disclosed
US-20130109678-A1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2013-05-02 US disclosed
US-20130109678-A1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2013-05-02 US disclosed
EP-2556058-A1 RADIOPROTECTOR COMPOUNDS AND METHODS Peter MacCallum Cancer Institute (AU) 2013-02-13 EP disclosed
CN-102933557-A Radioprotector compounds and methods PETER MACCALLUM CANCER INST 2013-02-13 CN disclosed
WO-2011123890-A1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2011-10-13 WO disclosed
WO-2011123890-A1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2011-10-13 WO 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 (1 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-20130109678-A1 RADIOPROTECTOR COMPOUNDS AND METHODS NR1H2, NR1H3, NR1I3 MAPT 4678/4885SIRT6 1519/4885LMNA 584/4885

“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.