SCHEMBL9984036

SCHEMBL9984036

CNc1ccc([N+](=O)[O-])c(Nc2ccc(N3CCCC(CO)C3)c(F)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.44
MAPT P10636 3/20 0.42
BRD4 O60885 5/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
JAK2 O60674 1/20 0.37
SYK P43405 1/20 0.37
GAA P10253 1/20 0.37
BCL6 P41182 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
RET P07949 1/20 0.36
ROS1 P08922 1/20 0.36
FLT3 P36888 1/20 0.36
EML4 Q9HC35 1/20 0.36
ALK Q9UM73 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
S100A4 P26447 1/20 0.35

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
SCHEMBL9983535 0.92 BRD4 (0.49) HSF1MAPTBRD4ALDH1A1LMNA
SCHEMBL9984192 0.92 MAPT (0.41) HSF1MAPTBRD4ALDH1A1LMNA
SCHEMBL9984401 0.91 MAPT (0.40) HSF1MAPTBRD4ALDH1A1LMNA
SCHEMBL9984835 0.90 BRD4 (0.39) HSF1MAPTBRD4ALDH1A1LMNA
SCHEMBL9983385 0.88 MAPT (0.41) MAPTALDH1A1LMNAJAK2SYK
SCHEMBL9984258 0.87 MAPT (0.40) MAPTBRD4ALDH1A1LMNAJAK2
SCHEMBL9983529 0.86 FLT3 (0.42) MAPTBRD4ALDH1A1LMNAJAK2
SCHEMBL9983871 0.86 HSF1 (0.44) HSF1MAPTBRD4ALDH1A1LMNA
SCHEMBL9984840 0.85 MAPT (0.41) MAPTALDH1A1LMNAJAK2SYK
SCHEMBL9985270 0.85 MAPT (0.39) MAPTALDH1A1LMNAJAK2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 US claimed
US-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 US disclosed
EP-2394993-A2 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Dong Wha Pharm. Co., Ltd. (KR) 2011-12-14 EP 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-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME NOS3, PTMS, NOS2 HSF1 4685/4885MAPT 4055/4885BRD4 1137/4885

“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.