SCHEMBL9986111

SCHEMBL9986111

O=[N+]([O-])c1ccc(NCCN2CCOCC2)nc1Nc1ccc2cn[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.52
PDGFRB P09619 2/20 0.51
PDGFRA P16234 2/20 0.51
HTR2A P28223 1/20 0.47
BRD4 O60885 2/20 0.45
MAPT P10636 5/20 0.42
HTT P42858 3/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PARP1 P09874 1/20 0.41
GAA P10253 1/20 0.41
SYK P43405 1/20 0.40
BTK Q06187 1/20 0.40
GSK3A P49840 3/20 0.40
GSK3B P49841 3/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
EGFR P00533 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
SCHEMBL9985298 0.93 HSF1 (0.62) HSF1PDGFRBPDGFRAHTR2ABRD4
SCHEMBL6793675 0.80 HSF1 (0.60) HSF1BRD4MAPTHTTALDH1A1
SCHEMBL6789752 0.79 HSF1 (0.67) HSF1PDGFRBPDGFRAEGFR
SCHEMBL9984850 0.79 HSF1 (0.52) HSF1MAPTHTTALDH1A1L3MBTL1
SCHEMBL6786464 0.78 HSF1 (0.60) HSF1PDGFRBPDGFRABRD4MAPT
SCHEMBL6782800 0.77 HSF1 (0.83) HSF1BRD4MAPTHTTALDH1A1
SCHEMBL6370136 0.77 MAPT (0.51) HTR2AMAPTALDH1A1L3MBTL1LMNA
SCHEMBL9984689 0.77 HSF1 (0.53) HSF1BRD4MAPTHTTALDH1A1
SCHEMBL9986029 0.77 HSF1 (0.57) HSF1BRD4MAPTALDH1A1L3MBTL1
SCHEMBL31237829 0.76 LMNA (0.49) MAPTHTTALDH1A1L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306641-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL PREPARATION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 US claimed
US-20110306641-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL PREPARATION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 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-20110306641-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL PREPARATION INCLUDING SAME PTMS, NOS3, NOS1 HSF1 4573/4885PDGFRB 2185/4885PDGFRA 2201/4885

“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.