SCHEMBL1552598

SCHEMBL1552598

CN1CCN(c2ccc3[nH]c(-c4ccc(N)c([N+](=O)[O-])c4)nc3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
SIRT6 Q8N6T7 2/20 0.54
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
TOP1 P11387 3/20 0.51
TOP2A P11388 3/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 1/20 0.49
TERT O14746 2/20 0.48
NPBWR1 P48145 2/20 0.48
CHEK2 O96017 1/20 0.48
PDGFRB P09619 2/20 0.47
FGFR1 P11362 2/20 0.47
KDR P35968 2/20 0.47
MEN1 O00255 2/20 0.47
BLM P54132 2/20 0.47
KMT2A Q03164 2/20 0.47
SLCO2B1 O94956 1/20 0.47
GLA P06280 1/20 0.47

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
SCHEMBL14669420 0.99 MAPT (0.53) MAPTSIRT6ALDH1A1SMN1; SMN2TOP1
SCHEMBL14892358 0.96 MAPT (0.50) MAPTSIRT6ALDH1A1SMN1; SMN2TOP1
SCHEMBL12288111 0.89 NPBWR1 (0.46) MAPTSIRT6ALDH1A1SMN1; SMN2TOP1
SCHEMBL10070212 0.89 MAPT (0.55) MAPTSIRT6ALDH1A1SMN1; SMN2LMNA
SCHEMBL14906660 0.89 ALDH1A1 (0.57) MAPTSIRT6ALDH1A1SMN1; SMN2TOP1
SCHEMBL12286566 0.88 TERT (0.48) MAPTSIRT6ALDH1A1SMN1; SMN2LMNA
SCHEMBL12287148 0.88 NPBWR1 (0.48) MAPTSIRT6ALDH1A1SMN1; SMN2TOP1
SCHEMBL14892447 0.88 NPBWR1 (0.51) MAPTALDH1A1SMN1; SMN2TERTNPBWR1
SCHEMBL12286935 0.88 MAPT (0.53) MAPTSIRT6ALDH1A1SMN1; SMN2TOP1
SCHEMBL12287010 0.87 TERT (0.43) MAPTSIRT6ALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590332-B1 A PROCESS FOR THE SYNTHESIS OF BISBENZIMIDAZOLES AND THEIR DERIVATIVES. UNIV DELHI (IN) 2011-04-27 EP claimed
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
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
EP-1590332-B1 A PROCESS FOR THE SYNTHESIS OF BISBENZIMIDAZOLES AND THEIR DERIVATIVES. UNIV DELHI (IN) 2011-04-27 EP disclosed
EP-2044938-A2 Radioprotectors Peter MacCallum Cancer Institute (AU) 2009-04-08 EP disclosed
US-6548505-B1 Protecting biological materials from damage caused by radiation; side effect reduction during radiotherapy or chemotherapy; indole, benzimidazole, benzoxazole or benzothiazole compounds substituted with 4-alkylpiperazino PETER MACCALLUM CANCER INSTITUTE (AU) 2003-04-15 US disclosed
US-6194414-B1 CANCER THERAPY; PREVENT RADIATION DAMAGE THE INNER AND EASTERN HEALTH CARE NETWORK (AU) 2001-02-27 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 (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 1519/4885ALDH1A1 1707/4885

“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.