SCHEMBL14892425

SCHEMBL14892425

CN(C)Nc1ccc2[nH]c(-c3ccc(N)c([N+](=O)[O-])c3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.45
RAB9A P51151 8/20 0.45
NPC1 O15118 7/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.43
NPBWR1 P48145 6/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
CASP3 P42574 2/20 0.43
SENP8 Q96LD8 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
HTT P42858 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP2 P08253 5/20 0.41
MMP9 P14780 5/20 0.41

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
SCHEMBL12286572 0.87 MAPT (0.48) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL14906664 0.85 KMT2A (0.42) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL14903467 0.84 ALDH1A1 (0.47) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL2578753 0.84 MAPT (0.47) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL18936884 0.82 MAPT (0.43) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL14903455 0.82 MMP2 (0.57) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL12286571 0.81 MAPT (0.47) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL14906678 0.80 NPBWR1 (0.43) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL14891835 0.78 NPBWR1 (0.42) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL12288115 0.78 NPC1 (0.41) MAPTRAB9ANPC1MEN1KMT2A

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 7 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
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-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

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 4678/4885RAB9A 2599/4885NPC1 230/4885

“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.