SCHEMBL9985481

SCHEMBL9985481

CC(C)c1nccn1-c1ccc([N+](=O)[O-])c(Nc2ccc3[nH]ncc3c2)n1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.59
SYK P43405 3/20 0.41
EGFR P00533 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MAPKAPK2 P49137 1/20 0.39
ROCK2 O75116 7/20 0.39
BRD4 O60885 1/20 0.38
ROCK1 Q13464 4/20 0.38
KDR P35968 3/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MAOB P27338 1/20 0.38
NOS1 P29475 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
SCHEMBL9985786 0.88 HSF1 (0.62) HSF1SYKEGFRMKNK1MAPKAPK2
SCHEMBL9984395 0.82 IDO1 (0.38) BRD4KDRMAPT
SCHEMBL9984121 0.81 ROCK1 (0.38) HSF1SYKEGFRBRD4ROCK1
SCHEMBL9985586 0.80 HSF1 (0.63) HSF1EGFRMKNK1MAPKAPK2ROCK2
SCHEMBL9983318 0.79 GAA (0.43) KDRMAPT
SCHEMBL9985110 0.79 TRPV1 (0.39) BRD4MAPT
SCHEMBL9984373 0.79 CARM1 (0.39) SYKBRD4KDRPOLBMAPT
SCHEMBL9984933 0.78 BRD4 (0.40) EGFRBRD4POLBMAPT
SCHEMBL9984341 0.77 EGFR (0.45) SYKEGFRBRD4MAPT
SCHEMBL6793338 0.77 HSF1 (0.64) HSF1EGFRROCK2BRD4ROCK1

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-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
EP-2585444-A1 AZASPIROHEXANONES AS INHIBITORS OF 11-BETA-HSD1 FOR THE TREATMENT OF METABOLIC DISORDERS Boehringer Ingelheim International GmbH (DE) 2013-05-01 EP disclosed
WO-2011161128-A1 AZASPIROHEXANONES AS INHIBITORS OF 11-BETA-HSD1 FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-29 WO disclosed
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 4573/4885SYK 782/4885EGFR 4701/4885

“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.