SCHEMBL5115555

SCHEMBL5115555

CCOC(=O)c1cc(O)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.62
CA1 P00915 3/20 0.62
CA2 P00918 3/20 0.62
CA7 P43166 3/20 0.62
CA9 Q16790 3/20 0.62
CA14 Q9ULX7 3/20 0.62
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 2/20 0.53
LMNA P02545 2/20 0.53
GALR2 O43603 1/20 0.53
MITF O75030 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HPGD P15428 1/20 0.53
XBP1 P17861 1/20 0.53
CCR6 P51684 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.48

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
SCHEMBL2126420 0.88 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL148384 0.86 MAPT (0.56) ALDH1A1SMN1; SMN2POLBLMNAGALR2
SCHEMBL21395564 0.85 LMNA (0.56) CA12CA2CA7CA9CA14
SCHEMBL14114749 0.85 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2POLBLMNAGALR2
SCHEMBL28237961 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBLMNAGALR2
SCHEMBL8991922 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBLMNAGALR2
SCHEMBL267821 0.84 MAPT (0.65) ALDH1A1SMN1; SMN2POLBLMNAGALR2
SCHEMBL268199 0.83 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL21707869 0.82 MAPT (0.58) ALDH1A1SMN1; SMN2POLBLMNAGALR2
SCHEMBL1028649 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2POLBLMNAGALR2

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-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-05 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-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds MCHR2, MCHR1, NPY1R CA12 3083/4885CA1 4048/4885CA2 1732/4885

“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.