SCHEMBL9984359

SCHEMBL9984359

NC1CCN(c2ccc([N+](=O)[O-])c(Nc3ccc(N4CCCC(CO)C4)c(F)c3)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
SYK P43405 2/20 0.38
JAK2 O60674 1/20 0.38
MAP4K4 O95819 1/20 0.36
LCK P06239 1/20 0.35
JAK3 P52333 1/20 0.35
DPP4 P27487 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
PTGER4 P35408 1/20 0.35
MAPK1 P28482 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RET P07949 1/20 0.34
ROS1 P08922 1/20 0.34
FLT3 P36888 1/20 0.34
EML4 Q9HC35 1/20 0.34
ALK Q9UM73 1/20 0.34
CAMK1D Q8IU85 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL9985270 0.93 MAPT (0.39) MAPTSYKJAK2MAP4K4LCK
SCHEMBL9984840 0.91 MAPT (0.41) MAPTSYKJAK2ALDH1A1LMNA
SCHEMBL9984935 0.91 ATR (0.42) MAPTSYKJAK2LCKJAK3
SCHEMBL9983529 0.91 FLT3 (0.42) MAPTJAK2ALDH1A1LMNAPTGER4
SCHEMBL9984893 0.87 ALDH1A1 (0.45) MAPTSYKALDH1A1LMNAMAPK1
SCHEMBL9987452 0.87 ALDH1A1 (0.39) MAPTSYKALDH1A1LMNAMAPK1
SCHEMBL9984588 0.87 ALDH1A1 (0.40) MAPTSYKJAK2LCKJAK3
SCHEMBL9983385 0.86 MAPT (0.41) MAPTSYKJAK2JAK3ALDH1A1
SCHEMBL9984347 0.85 MAPT (0.43) MAPTSYKJAK2ALDH1A1MAPK1
SCHEMBL9984527 0.85 MAPT (0.43) MAPTSYKJAK2ALDH1A1MAPK1

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 MAPT 4055/4885SYK 1244/4885JAK2 3187/4885

“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.