SCHEMBL17403305

SCHEMBL17403305

O=C(O)c1ccc([N+](=O)[O-])c(C#Cc2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.54
NR4A1 P22736 1/20 0.54
NR4A3 Q92570 1/20 0.54
SRD5A2 P31213 1/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
PLA2G4B P0C869 2/20 0.49
NR1H4 Q96RI1 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
PTPN11 Q06124 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
MAOB P27338 2/20 0.46
PARP10 Q53GL7 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MAOA P21397 1/20 0.46

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
SCHEMBL15988986 0.84 CASP6 (0.57) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL15988995 0.83 PLA2G4B (0.58) MAPTKMT2APLA2G4BLMNA
SCHEMBL15988990 0.82 CASP6 (0.54) LMNA
SCHEMBL1455427 0.78 MAPT (0.62) NR4A2NR4A1NR4A3SRD5A2MAPT
SCHEMBL528177 0.77 MYC (0.67) NR4A2NR4A1NR4A3MEN1KMT2A
SCHEMBL30082870 0.77 MYC (0.67) NR4A2NR4A1NR4A3MEN1KMT2A
SCHEMBL15988991 0.76 CASP6 (0.50) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5451216 0.76 HCAR3 (0.70) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6058750 0.75 NR4A2 (0.57) NR4A2NR4A1NR4A3SRD5A2MAPT
SCHEMBL23978042 0.74 MAOB (0.60) NR4A2NR4A1NR4A3PLA2G4BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9649373-B2 Neoseptins: small molecule adjuvants THE SCRIPPS INSTITUTE (US) 2017-05-16 US disclosed
US-9649373-B2 Neoseptins: small molecule adjuvants THE SCRIPPS INSTITUTE (US) 2017-05-16 US disclosed
EP-2958889-B1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS SCRIPPS RESEARCH INST (US) 2017-03-22 EP disclosed
US-20160000907-A1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 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-20160000907-A1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS TLR2, TLR4, TLR1 NR4A2 37/4885NR4A1 111/4885NR4A3 194/4885

“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.