SCHEMBL7721097

SCHEMBL7721097

O=C(O)NOCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 6/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
CTSD P07339 1/20 0.47
KDM4A O75164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL21545834 0.87 NPC1 (0.59) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL10518545 0.82 ALDH1A1 (0.53) MAOBMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL3359452 0.79 ALDH1A1 (0.50) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL2468905 0.79 MAOB (0.49) MAOBMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL602068 0.79 MAOB (0.55) MAOBMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL602067 0.79 MAOB (0.55) MAOBMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL30605656 0.78 MAOB (0.54) MAOBMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL37410 0.78 MAOB (0.54) MAOBMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL1556056 0.78 MAOB (0.54) MAOBMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL9614520 0.77 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111423452-A Rugoside intermediate, preparation method and application thereof 江西青峰药业有限公司 2020-07-17 CN claimed
CN-111423452-A Rugoside intermediate, preparation method and application thereof 江西青峰药业有限公司 2020-07-17 CN disclosed
US-20160122383-A1 Peptide Ligation THE UNIVERSITY OF SYDNEY (AU) 2016-05-05 US disclosed
EP-1119528-B1 CHEMICAL CONSTRUCTS AND THEIR USES GLAXO GROUP LTD (GB) 2002-08-28 EP disclosed
EP-1119528-A2 CHEMICAL CONSTRUCTS AND THEIR USES GLAXO GROUP LIMITED (GB) 2001-08-01 EP disclosed
WO-2000020112-A2 CHEMICAL CONSTRUCTS AND THEIR USES GLAXO GROUP LIMITED (GB) 2000-04-13 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-20160122383-A1 Peptide Ligation PTMS, PTMA, QPCTL MAOB 1627/4885MEN1 3925/4885KMT2A 1675/4885

“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.