SCHEMBL9983535

SCHEMBL9983535

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.49
MAPT P10636 1/20 0.41
NTRK1 P04629 1/20 0.39
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
SYK P43405 2/20 0.36
JAK2 O60674 1/20 0.36
HSF1 Q00613 1/20 0.36
GAA P10253 1/20 0.36
BCL6 P41182 1/20 0.35
CTSB P07858 1/20 0.35
RET P07949 1/20 0.35
ROS1 P08922 1/20 0.35
FLT3 P36888 1/20 0.35
EML4 Q9HC35 1/20 0.35
ALK Q9UM73 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
SCHEMBL9984036 0.92 HSF1 (0.44) BRD4MAPTLMNAALDH1A1HRH3
SCHEMBL9984835 0.91 BRD4 (0.39) BRD4MAPTNTRK1LMNAALDH1A1
SCHEMBL9984192 0.90 MAPT (0.41) BRD4MAPTLMNAALDH1A1HRH3
SCHEMBL9984401 0.89 MAPT (0.40) BRD4MAPTLMNAALDH1A1SYK
SCHEMBL9983385 0.87 MAPT (0.41) MAPTLMNAALDH1A1HRH3SYK
SCHEMBL9984657 0.86 BRD4 (0.48) BRD4MAPTNTRK1LMNAALDH1A1
SCHEMBL9984854 0.85 BRD4 (0.57) BRD4MAPTNTRK1LMNAALDH1A1
SCHEMBL9984258 0.85 MAPT (0.40) BRD4MAPTLMNAALDH1A1HRH3
SCHEMBL9984423 0.85 BRD4 (0.53) BRD4MAPTNTRK1ALDH1A1SYK
SCHEMBL9983529 0.85 FLT3 (0.42) BRD4MAPTLMNAALDH1A1JAK2

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 BRD4 1137/4885MAPT 4055/4885NTRK1 4076/4885

“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.