SCHEMBL9984487

SCHEMBL9984487

NC1CCN(c2ccc([N+](=O)[O-])c(Nc3ccc4[nH]ncc4c3)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.59
ROCK2 O75116 16/20 0.52
ROCK1 Q13464 7/20 0.50
ULK1 O75385 1/20 0.43
CCR2 P41597 2/20 0.42
MKNK1 Q9BUB5 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL6787562 0.91 HSF1 (0.59) HSF1ROCK2ROCK1CCR2POLB
SCHEMBL6789036 0.87 HSF1 (0.62) HSF1ROCK2ROCK1
SCHEMBL6793338 0.87 HSF1 (0.64) HSF1ROCK2ROCK1
SCHEMBL9984488 0.84 HSF1 (0.56) HSF1ROCK2ROCK1ULK1CCR2
SCHEMBL9985204 0.83 HSF1 (0.57) HSF1ROCK2ROCK1CCR2
SCHEMBL9985436 0.83 HSF1 (0.62) HSF1ROCK2ROCK1CCR2
SCHEMBL6786712 0.83 HSF1 (0.49) HSF1
SCHEMBL9983923 0.82 MAPT (0.43) POLB
SCHEMBL9984999 0.81 MAPT (0.39) HSF1POLB
SCHEMBL9985473 0.81 HSF1 (0.62) HSF1ROCK2ROCK1CCR2MKNK1

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 4573/4885ROCK2 841/4885ROCK1 1344/4885

“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.