SCHEMBL307944

SCHEMBL307944

CCn1ccc2c([N+](=O)[O-])c[c]cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
ALDH1A1 P00352 5/20 0.33
LMNA P02545 5/20 0.32
MAPT P10636 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.31
DBH P09172 1/20 0.31
MET P08581 1/20 0.31
HTR6 P50406 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
AGTR1 P30556 1/20 0.31
RAB9A P51151 1/20 0.31
TLR9 Q9NR96 1/20 0.31

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
SCHEMBL3690450 0.78 GAA (0.49) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL1127777 0.73 MAPT (0.35) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL9395019 0.67 GAA (0.66) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL308399 0.65 IDO1 (0.33)
SCHEMBL9651121 0.65 PKM (0.37) GAAALDH1A1MAPTMETTDP1
SCHEMBL14981533 0.63 TDP1 (0.44) GAAALDH1A1LMNAPOLBHTT
SCHEMBL15063627 0.63 POLB (0.37) GAAALDH1A1LMNAMAPTPOLB
SCHEMBL24130455 0.62 ALDH1A1 (0.43) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL3312100 0.62 HTR7 (0.57) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL2475315 0.62 GAA (0.66) GAAALDH1A1MAPTPOLBSMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111406-B1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK SHARP & DOHME (US) 2012-10-24 EP disclosed
US-8093389-B2 e.g. 1-[(1-Ethyl-4-methoxy-1H-benzimidazol-6-yl)carbonyl]-6-(1H-tetrazol-5-yl)spiro[chroman-2,4'-piperidine]-4-one; acetyl CoA carboxylase inhibitors; antidiabetic, hypoglycemic agent; metabolic syndrome, fatty liver, hyperlipemia, obesity, diabetes, bulimia, malignant neoplasm or infectious diseases MERCK SHARP & DOHME CORP. (US) 2012-01-10 US disclosed
EP-2111406-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS Merck & Co., Inc. (US) 2009-10-28 EP disclosed
WO-2008088688-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK & CO., INC. (US) 2008-07-24 WO disclosed
US-20080171761-A1 Substituted spirochromanone derivatives MERCK SHARP & DOHME LLC 2008-07-17 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-20080171761-A1 Substituted spirochromanone derivatives CBR3, CBR1, CNKSR1 GAA 4828/4885ALDH1A1 901/4885LMNA 1114/4885

“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.