SCHEMBL2568351

SCHEMBL2568351

COCCC(N)c1ccc2[nH]c(-c3ccc(N)c([N+](=O)[O-])c3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.40
▸ NPBWR1 P48145 8/20 0.40
▸ RAB9A P51151 7/20 0.40
▸ NPC1 O15118 6/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ HTT P42858 4/20 0.40
▸ NFKB1 P19838 3/20 0.40
▸ NFKB2 Q00653 3/20 0.40
▸ RELA Q04206 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ STAT1 P42224 1/20 0.40
▸ SAE1 Q9UBE0 1/20 0.40
▸ UBA2 Q9UBT2 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ CASP3 P42574 2/20 0.40
▸ SENP8 Q96LD8 2/20 0.40

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
SCHEMBL14891836 0.82 MAPT (0.41) MAPTNPBWR1RAB9ANPC1SMN1; SMN2
SCHEMBL12286571 0.81 MAPT (0.47) MAPTNPBWR1RAB9ANPC1SMN1; SMN2
SCHEMBL2568354 0.80 MAPT (0.39) MAPTNPBWR1RAB9ANPC1SMN1; SMN2
SCHEMBL14903455 0.78 MMP2 (0.57) MAPTNPBWR1RAB9ANPC1SMN1; SMN2
SCHEMBL2578518 0.78 MAPT (0.41) MAPTNPBWR1RAB9ANPC1SMN1; SMN2
SCHEMBL12287010 0.77 TERT (0.43) MAPTNPBWR1RAB9ANPC1SMN1; SMN2
SCHEMBL2578753 0.75 MAPT (0.47) MAPTNPBWR1RAB9ANPC1SMN1; SMN2
SCHEMBL14903464 0.75 ACHE (0.53) MAPTNPBWR1RAB9ANPC1SMN1; SMN2
SCHEMBL12286572 0.74 MAPT (0.48) MAPTNPBWR1RAB9ANPC1SMN1; SMN2
SCHEMBL9113986 0.73 PRMT1 (0.56) MAPTNPBWR1RAB9ANPC1SMN1; SMN2

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 6 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
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-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

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 4678/4885NPBWR1 580/4885RAB9A 2599/4885

“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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