SCHEMBL7042908

SCHEMBL7042908

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 2/20 0.47
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
BCHE P06276 1/20 0.40
ALOX5 P09917 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 2/20 0.37
THRB P10828 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ASAH1 Q13510 1/20 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
SCHEMBL7045923 0.87 KMT2A (0.46) RAB9ASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL7045443 0.86 MEN1 (0.45) DAGLARAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL7186569 0.85 MEN1 (0.40) RAB9AMEN1KMT2AHPGDASAH1
SCHEMBL6466103 0.78 DAGLA (0.56) DAGLARAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL7043392 0.78 DAGLA (0.55) DAGLARAB9AALDH1A1GAASMN1; SMN2
SCHEMBL7042906 0.77 DAGLA (0.46) DAGLARAB9AALDH1A1GAASMN1; SMN2
SCHEMBL7049306 0.75 DAGLA (0.44) DAGLARAB9AALDH1A1GAASMN1; SMN2
SCHEMBL7047959 0.74 MEN1 (0.44) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7042905 0.72 RAB9A (0.41) DAGLARAB9AALDH1A1GAASMN1; SMN2
SCHEMBL6464160 0.72 LMNA (0.39) DAGLARAB9ASMN1; SMN2ALOX5MEN1

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 2304/4885RAB9A 1895/4885ALDH1A1 3027/4885

“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.