SCHEMBL2578518

SCHEMBL2578518

COCCOCCNc1ccc2[nH]c(-c3ccc(N)c([N+](=O)[O-])c3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NPC1 O15118 5/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ RECQL P46063 2/20 0.40
▸ BLM P54132 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ APBA1 Q02410 1/20 0.40
▸ TP53 P04637 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ LMNA P02545 4/20 0.38
▸ NPBWR1 P48145 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ NFKB1 P19838 3/20 0.38
▸ NFKB2 Q00653 3/20 0.38
▸ RELA Q04206 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ GAA P10253 2/20 0.38

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
SCHEMBL12286571 0.94 MAPT (0.47) MAPTALDH1A1NPC1RAB9ATDP1
SCHEMBL14892413 0.87 NPC1 (0.40) MAPTALDH1A1NPC1RAB9ATDP1
SCHEMBL14906664 0.83 KMT2A (0.42) MAPTALDH1A1NPC1RAB9ATDP1
SCHEMBL14892594 0.81 ALDH1A1 (0.43) MAPTALDH1A1NPC1RAB9ATDP1
SCHEMBL12286572 0.80 MAPT (0.48) MAPTALDH1A1NPC1RAB9ATDP1
SCHEMBL14892425 0.78 MAPT (0.45) MAPTALDH1A1NPC1RAB9ATDP1
SCHEMBL2568351 0.78 MAPT (0.40) MAPTALDH1A1NPC1RAB9ATDP1
SCHEMBL2568354 0.77 MAPT (0.39) MAPTALDH1A1NPC1RAB9ATDP1
SCHEMBL14892431 0.75 NPC1 (0.46) MAPTALDH1A1NPC1RAB9ATP53
SCHEMBL14903455 0.75 MMP2 (0.57) MAPTALDH1A1NPC1RAB9ATDP1

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 11 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
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
EP-2556058-A1 RADIOPROTECTOR COMPOUNDS AND METHODS Peter MacCallum Cancer Institute (AU) 2013-02-13 — — EP 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 4678/4885ALDH1A1 1707/4885NPC1 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.

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