SCHEMBL17403333

SCHEMBL17403333

COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
CTSV O60911 3/20 0.51
CTSL P07711 3/20 0.51
LMNA P02545 1/20 0.51
AKR1C3 P42330 2/20 0.50
AKR1C2 P52895 2/20 0.50
LNPEP Q9UIQ6 2/20 0.50
AKR1C4 P17516 1/20 0.50
AKR1C1 Q04828 1/20 0.50
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
AR P10275 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL14852054 0.87 MAPT (0.55) MAPTMEN1KMT2ACTSVCTSL
SCHEMBL15989071 0.84 MAPT (0.53) MAPTMEN1KMT2ALMNAAKR1C3
SCHEMBL3491233 0.83 MAPT (0.66) MAPTMEN1KMT2ACTSVCTSL
SCHEMBL6658894 0.83 MAPT (0.57) MAPTMEN1KMT2ACTSVCTSL
SCHEMBL5579639 0.82 CTSV (0.55) MAPTMEN1KMT2ACTSVCTSL
SCHEMBL5451216 0.82 HCAR3 (0.70) MAPTMEN1KMT2ACTSVCTSL
SCHEMBL13202024 0.82 MAPT (0.67) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL3919788 0.81 MAPK1 (0.63) MAPTMEN1KMT2ACTSVCTSL
SCHEMBL2327765 0.81 MEN1 (0.49) MAPTMEN1KMT2ACTSVCTSL
SCHEMBL30082879 0.80 MYC (0.59) MAPTMEN1KMT2ACTSVCTSL

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 MAPT 3636/4885MEN1 4592/4885KMT2A 3278/4885

“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.