SCHEMBL7043392

SCHEMBL7043392

O=C(CCC1CCCCC1)N[C@@H](CCc1ccccc1)C(=O)c1nc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 3/20 0.55
CTSL P07711 2/20 0.47
CTSB P07858 2/20 0.47
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
ALDH1A1 P00352 4/20 0.46
GAA P10253 2/20 0.46
RAB9A P51151 3/20 0.43
CMA1 P23946 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
PRSS8 Q16651 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.37
BCHE P06276 1/20 0.37
ALOX5 P09917 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL6465141 0.87 CTSS (0.48) DAGLACTSLCTSBCTSSCTSK
SCHEMBL6463419 0.87 CTSS (0.48) DAGLACTSLCTSBCTSSCTSK
SCHEMBL6468629 0.87 CTSS (0.48) DAGLACTSLCTSBCTSSCTSK
SCHEMBL7045308 0.87 CTSS (0.49) DAGLACTSLCTSBCTSSCTSK
SCHEMBL6464884 0.86 CTSS (0.49) DAGLACTSLCTSBCTSSCTSK
SCHEMBL7049339 0.85 CTSS (0.53) DAGLACTSLCTSBCTSSCTSK
SCHEMBL7049425 0.85 CTSL (0.49) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL7042906 0.84 DAGLA (0.46) DAGLAALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL6464300 0.82 CTSS (0.44) DAGLACTSLCTSBCTSSCTSK
SCHEMBL7047962 0.80 KMT2A (0.44) CTSLCTSBCTSSCTSKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ DAGLA 2304/4885CTSL 18/4885CTSB 11/4885

“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.