SCHEMBL10070212

SCHEMBL10070212

Nc1ccc(-c2nc3cc(N4CCNCC4)ccc3[nH]2)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
RECQL P46063 1/20 0.55
NPBWR1 P48145 3/20 0.49
ALDH1A1 P00352 4/20 0.48
LMNA P02545 1/20 0.48
CHEK2 O96017 1/20 0.46
POLB P06746 3/20 0.44
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
ADRB1 P08588 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL14892447 0.89 NPBWR1 (0.51) MAPTNPBWR1ALDH1A1CHEK2SMN1; SMN2
SCHEMBL1552598 0.89 MAPT (0.54) MAPTRECQLNPBWR1ALDH1A1LMNA
SCHEMBL12287148 0.89 NPBWR1 (0.48) MAPTRECQLNPBWR1ALDH1A1LMNA
SCHEMBL14669420 0.88 MAPT (0.53) MAPTRECQLNPBWR1ALDH1A1LMNA
SCHEMBL2570432 0.87 NPBWR1 (0.47) MAPTRECQLNPBWR1ALDH1A1LMNA
SCHEMBL12288111 0.86 NPBWR1 (0.46) MAPTRECQLNPBWR1ALDH1A1LMNA
SCHEMBL14892358 0.85 MAPT (0.50) MAPTRECQLNPBWR1ALDH1A1LMNA
SCHEMBL14893027 0.85 NPBWR1 (0.46) MAPTRECQLNPBWR1ALDH1A1LMNA
SCHEMBL2576407 0.85 NPBWR1 (0.47) MAPTRECQLNPBWR1ALDH1A1LMNA
SCHEMBL12286935 0.85 MAPT (0.53) MAPTNPBWR1ALDH1A1LMNACHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097238-B2 Cell targeting conjugates PETER MACCALLUM CANCER INSTITUTE (AU) 2012-01-17 US disclosed
US-8097238-B2 Cell targeting conjugates PETER MACCALLUM CANCER INSTITUTE (AU) 2012-01-17 US disclosed
US-20070140970-A1 Cell targeting conjugates PETER MACCALLUM CANCER INSTITUTE 2007-06-21 US disclosed
US-20070140970-A1 Cell targeting conjugates PETER MACCALLUM CANCER INSTITUTE 2007-06-21 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-20070140970-A1 Cell targeting conjugates CD47, CD74, CD2 MAPT 2452/4885RECQL 3780/4885NPBWR1 862/4885

“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.