SCHEMBL14903455

SCHEMBL14903455

Cc1ccc2[nH]c(-c3ccc(N)c([N+](=O)[O-])c3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.57
MMP9 P14780 5/20 0.57
MMP8 P22894 5/20 0.57
MMP13 P45452 4/20 0.57
TSHR P16473 1/20 0.55
MAPT P10636 9/20 0.54
RAB9A P51151 7/20 0.54
NPBWR1 P48145 6/20 0.54
NPC1 O15118 6/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NFKB1 P19838 3/20 0.54
NFKB2 Q00653 3/20 0.54
RELA Q04206 3/20 0.54
HTT P42858 3/20 0.54
MAPK1 P28482 1/20 0.54
POLB P06746 2/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL2578753 0.85 MAPT (0.47) MMP2MMP9MMP8MMP13MAPT
SCHEMBL12286572 0.83 MAPT (0.48) MMP2MMP9MMP8MMP13MAPT
SCHEMBL2250050 0.83 MMP2 (0.80) MMP2MMP9MMP8MMP13MAPT
SCHEMBL9113986 0.82 PRMT1 (0.56) MMP2MMP9MMP8MMP13MAPT
SCHEMBL14892425 0.82 MAPT (0.45) MMP2MMP9MMP8MMP13MAPT
SCHEMBL18936884 0.81 MAPT (0.43) MMP2MMP9MMP8MMP13MAPT
SCHEMBL2566093 0.81 MAPT (0.43) MMP2MMP9MMP8MMP13MAPT
SCHEMBL14891836 0.80 MAPT (0.41) MMP2MMP9MMP8MMP13MAPT
SCHEMBL1552598 0.80 MAPT (0.54) MAPTRAB9ANPBWR1NPC1SMN1; SMN2
SCHEMBL14891835 0.80 NPBWR1 (0.42) MMP2MMP9MMP8MMP13MAPT

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-RE46943-E1 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2018-07-10 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

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 MMP2 3565/4885MMP9 3441/4885MMP8 3337/4885

“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.