SCHEMBL9985270

SCHEMBL9985270

O=[N+]([O-])c1ccc(N2CCC(O)CC2)nc1Nc1ccc(N2CCCC(CO)C2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
LMNA P02545 2/20 0.39
JAK2 O60674 1/20 0.38
SYK P43405 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.36
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK1 P28482 3/20 0.35
PTGER4 P35408 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE7A Q13946 2/20 0.35
MAP4K4 O95819 1/20 0.35
LCK P06239 1/20 0.34
JAK3 P52333 1/20 0.34
CCR4 P51679 1/20 0.34
GABRP O00591 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
SCHEMBL9984359 0.93 MAPT (0.39) MAPTLMNAJAK2SYKALDH1A1
SCHEMBL9984840 0.92 MAPT (0.41) MAPTLMNAJAK2SYKALDH1A1
SCHEMBL9984935 0.91 ATR (0.42) MAPTLMNAJAK2SYKALDH1A1
SCHEMBL9983529 0.91 FLT3 (0.42) MAPTLMNAJAK2ALDH1A1PTGER4
SCHEMBL9983445 0.88 ALDH1A1 (0.45) MAPTLMNAJAK2SYKALDH1A1
SCHEMBL9984012 0.88 MAPT (0.47) MAPTLMNASYKALDH1A1MEN1
SCHEMBL9983385 0.87 MAPT (0.41) MAPTLMNAJAK2SYKALDH1A1
SCHEMBL9984583 0.85 MAPT (0.38) MAPTLMNAJAK2SYKALDH1A1
SCHEMBL9984036 0.85 HSF1 (0.44) MAPTLMNAJAK2SYKALDH1A1
SCHEMBL9984594 0.85 CDK4 (0.43) MAPTLMNAALDH1A1MEN1KMT2A

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-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

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 2950/4885JAK2 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.