SCHEMBL7042906

SCHEMBL7042906

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 2/20 0.46
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 2/20 0.36
BCHE P06276 1/20 0.36
ALOX5 P09917 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL6465745 0.87 KMT2A (0.43) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6463649 0.87 MEN1 (0.40) DAGLAALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL6473321 0.87 MEN1 (0.40) DAGLAALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL6466336 0.86 MEN1 (0.40) DAGLAALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL7186564 0.86 MMP1 (0.39) RAB9ANPC1MEN1KMT2A
SCHEMBL7043392 0.84 DAGLA (0.55) DAGLAALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL6465251 0.83 LMNA (0.40) RAB9APOLBMEN1MAPTKMT2A
SCHEMBL7047598 0.80 CTSL (0.40) POLBMAPTKMT2ALMNA
SCHEMBL7042908 0.77 DAGLA (0.47) DAGLAALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL6473243 0.75 BMP1 (0.41) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1

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-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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 2304/4885ALDH1A1 3027/4885GAA 292/4885

“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.