SCHEMBL6370508

SCHEMBL6370508

COC(=O)[C@H](Cc1c[nH]cn1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
MAPK1 P28482 5/20 0.42
TDP1 Q9NUW8 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
KMT2A Q03164 2/20 0.41
HCAR3 P49019 1/20 0.39

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
SCHEMBL7276719 0.89 CRHBP (0.44) MAPTMAPK1TDP1SMN1; SMN2CRHBP
SCHEMBL7276715 0.89 CRHBP (0.44) MAPTMAPK1TDP1SMN1; SMN2CRHBP
SCHEMBL7371470 0.88 CRHBP (0.41) MAPTMAPK1TDP1SMN1; SMN2CRHBP
Water SCHEMBL10716192 0.88 CRHBP (0.43) MAPTMAPK1TDP1SMN1; SMN2CRHBP
Hydrochloric Acid SCHEMBL6371205 0.88 CRHBP (0.43) MAPTMAPK1TDP1SMN1; SMN2CRHBP
SCHEMBL26934247 0.82 MMP2 (0.43) MAPTMAPK1TDP1CRHBPCRHR2
SCHEMBL11095621 0.81 MMP2 (0.41) MAPTMAPK1TDP1SMN1; SMN2CRHBP
SCHEMBL11095963 0.80 MAPT (0.39) MAPTMAPK1TDP1SMN1; SMN2CRHBP
SCHEMBL3584166 0.79 CRHBP (0.51) MAPTMAPK1TDP1SMN1; SMN2CRHBP
SCHEMBL7371471 0.78 MAPT (0.39) MAPTMAPK1TDP1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245432-A1 N-methyl amino acids UBIQUITOUS TECHNOLOGIES PTY. LTD. (AU) 2005-11-03 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-20050245432-A1 N-methyl amino acids VIP, NPPA, PTMS MAPT 2745/4885MAPK1 1305/4885TDP1 4444/4885

“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.