SCHEMBL9985353

SCHEMBL9985353

CCC(O)CNc1ccc([N+](=O)[O-])c(Nc2ccc3[nH]ncc3c2)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.69
BRD4 O60885 2/20 0.43
ROCK2 O75116 5/20 0.40
ROCK1 Q13464 5/20 0.40
MKNK1 Q9BUB5 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MAOB P27338 1/20 0.39
NOS1 P29475 1/20 0.39
SYK P43405 2/20 0.39
KDR P35968 3/20 0.39
JAK2 O60674 2/20 0.39
JAK1 P23458 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38

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
SCHEMBL9986208 0.91 HSF1 (0.71) HSF1BRD4ROCK2ROCK1MKNK1
SCHEMBL6909979 0.89 HSF1 (0.74) HSF1BRD4ROCK2ROCK1MKNK1
SCHEMBL9985350 0.83 HSF1 (0.69) HSF1BRD4ROCK2ROCK1MKNK1
SCHEMBL29380539 0.82 HSF1 (1.00) HSF1BRD4ROCK2ROCK1MKNK1
SCHEMBL29695497 0.82 HSF1 (1.00) HSF1BRD4ROCK2ROCK1MKNK1
SCHEMBL6783318 0.82 HSF1 (1.00) HSF1BRD4ROCK2ROCK1MKNK1
SCHEMBL6786129 0.82 HSF1 (0.70) HSF1BRD4ROCK2ROCK1MKNK1
SCHEMBL6793978 0.82 HSF1 (0.73) HSF1BRD4ROCK2ROCK1MKNK1
SCHEMBL6782658 0.81 HSF1 (0.78) HSF1BRD4ROCK2ROCK1MKNK1
SCHEMBL9985056 0.81 HSF1 (0.71) HSF1BRD4ROCK2ROCK1MKNK1

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-20110306641-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL PREPARATION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 US claimed
US-20110306641-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL PREPARATION 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-20110306641-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL PREPARATION INCLUDING SAME PTMS, NOS3, NOS1 HSF1 4573/4885BRD4 2172/4885ROCK2 841/4885

“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.