SCHEMBL6985305

SCHEMBL6985305

CCOC(=O)CC(=O)/C=C/c1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
GAA P10253 1/20 0.60
GLO1 Q04760 1/20 0.57
ALDH1A1 P00352 7/20 0.57
NPSR1 Q6W5P4 2/20 0.56
MAPT P10636 2/20 0.55
TRPM8 Q7Z2W7 1/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
MAOB P27338 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.54
NPC1 O15118 1/20 0.53
HSP90AA1 P07900 1/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.53
CCR6 P51684 1/20 0.53

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
SCHEMBL6985307 1.00 SMN1; SMN2 (0.62) SMN1; SMN2KMT2AMEN1GAAGLO1
SCHEMBL31080941 1.00 SMN1; SMN2 (0.62) SMN1; SMN2KMT2AMEN1GAAGLO1
SCHEMBL10666472 1.00 SMN1; SMN2 (0.62) SMN1; SMN2KMT2AMEN1GAAGLO1
SCHEMBL10990811 0.93 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AMEN1GAAGLO1
SCHEMBL10666431 0.92 GAA (0.57) SMN1; SMN2KMT2AMEN1GAAALDH1A1
SCHEMBL11461071 0.91 GAA (0.54) SMN1; SMN2KMT2AMEN1GAAGLO1
SCHEMBL7266510 0.90 GAA (0.59) SMN1; SMN2KMT2AMEN1GAAALDH1A1
SCHEMBL10668026 0.90 GAA (0.59) SMN1; SMN2KMT2AMEN1GAAALDH1A1
SCHEMBL31148881 0.90 GAA (0.59) SMN1; SMN2KMT2AMEN1GAAALDH1A1
SCHEMBL10481095 0.90 ALDH1A1 (0.59) SMN1; SMN2KMT2AMEN1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 US disclosed
EP-1292585-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 WO 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-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors SQLE, CYP17A1, ACOX1 SMN1; SMN2 4321/4885KMT2A 2350/4885MEN1 4556/4885

“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.