SCHEMBL9984583

SCHEMBL9984583

CC1=NCCN1c1ccc([N+](=O)[O-])c(Nc2ccc(N3CCCC(CO)C3)c(F)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.35
PTGER4 P35408 2/20 0.35
JAK2 O60674 1/20 0.34
SYK P43405 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
S100A4 P26447 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
LCK P06239 2/20 0.34
JAK3 P52333 2/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
BCL6 P41182 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
SCHEMBL9984620 0.86 MAPT (0.39) MAPTLMNAALDH1A1MEN1POLB
SCHEMBL9983529 0.86 FLT3 (0.42) MAPTLMNAALDH1A1PTGER4JAK2
SCHEMBL9985270 0.85 MAPT (0.39) MAPTLMNAALDH1A1GAAPTGER4
SCHEMBL9984840 0.85 MAPT (0.41) MAPTLMNAALDH1A1GAAPTGER4
SCHEMBL9983427 0.85 MAPT (0.40) MAPTLMNAALDH1A1JAK2SYK
SCHEMBL9984935 0.85 ATR (0.42) MAPTLMNAALDH1A1GAAJAK2
SCHEMBL9984359 0.85 MAPT (0.39) MAPTLMNAALDH1A1GAAPTGER4
SCHEMBL9983918 0.84 ALDH1A1 (0.37) MAPTLMNAALDH1A1GAAJAK2
SCHEMBL9984036 0.84 HSF1 (0.44) MAPTLMNAALDH1A1GAAJAK2
SCHEMBL9983385 0.83 MAPT (0.41) MAPTLMNAALDH1A1GAAJAK2

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 4055/4885LMNA 2950/4885ALDH1A1 2401/4885

“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.