SCHEMBL9984657

SCHEMBL9984657

CC(C)Nc1ccc([N+](=O)[O-])c(Nc2ccc(N3CCCC(C(N)=O)C3)c(F)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.48
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 4/20 0.40
CTSB P07858 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
S100A4 P26447 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
NTRK1 P04629 1/20 0.39
SYK P43405 2/20 0.39
LCK P06239 1/20 0.38
JAK3 P52333 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RET P07949 1/20 0.37

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
SCHEMBL9983871 0.92 HSF1 (0.44) BRD4ALDH1A1LMNAGAAMAPT
SCHEMBL9984137 0.91 BRD4 (0.50) BRD4ALDH1A1MAPTPOLBNTRK1
SCHEMBL9984982 0.91 ALDH1A1 (0.42) BRD4ALDH1A1LMNAGAAMAPT
SCHEMBL9983921 0.91 ALDH1A1 (0.42) BRD4ALDH1A1LMNAGAAMAPT
SCHEMBL9984092 0.87 ALDH1A1 (0.41) BRD4ALDH1A1LMNAGAAMAPT
SCHEMBL9984049 0.87 MAPT (0.44) ALDH1A1LMNAGAAMAPTCTSB
SCHEMBL9983535 0.86 BRD4 (0.49) BRD4ALDH1A1LMNAGAAMAPT
SCHEMBL9987584 0.85 BRD4 (0.51) BRD4GAAMAPTMEN1POLB
SCHEMBL9984687 0.85 FLT3 (0.45) BRD4ALDH1A1LMNAGAAMAPT
SCHEMBL9984315 0.85 MAPT (0.40) BRD4ALDH1A1LMNAGAAMAPT

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 4 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
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 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 BRD4 1137/4885ALDH1A1 2401/4885LMNA 2950/4885

“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.