SCHEMBL13554669

SCHEMBL13554669

COCCOCCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
ALDH1A1 P00352 9/20 0.46
MAPT P10636 6/20 0.46
HCAR3 P49019 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 2/20 0.42
PTGER4 P35408 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GPR35 Q9HC97 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL17243849 1.00 LMNA (0.50) LMNAALDH1A1MAPTHCAR3RAB9A
SCHEMBL13554731 0.88 ALDH1A1 (0.49) LMNAALDH1A1MAPTRAB9ANPC1
SCHEMBL13554724 0.88 ALDH1A1 (0.46) LMNAALDH1A1MAPTRAB9ANPC1
SCHEMBL13554644 0.87 MAPT (0.47) LMNAALDH1A1MAPTRAB9ANPC1
SCHEMBL13554730 0.85 KMT2A (0.45) LMNAALDH1A1MAPTRAB9ANPC1
SCHEMBL20419955 0.85 KAT2B (0.46) LMNAALDH1A1MAPTRAB9ANPC1
SCHEMBL13554708 0.82 MAPT (0.40) LMNAALDH1A1MAPTRAB9ANPC1
SCHEMBL13554664 0.82 MAPT (0.63) LMNAALDH1A1MAPTRAB9ANPC1
SCHEMBL13554634 0.82 MAPT (0.40) LMNAALDH1A1MAPTRAB9ANPC1
SCHEMBL31700569 0.81 LMNA (0.52) LMNAALDH1A1MAPTHCAR3RAB9A

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-20160082102-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS UNIV YALE (US) 2016-03-24 US disclosed
US-9181224-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus YALE UNIVERSITY (US) 2015-11-10 US disclosed
US-20120269766-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS YALE UNIVERSITY (US) 2012-10-25 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 (2 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-20120269766-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS CD4, HAVCR2, CD2BP2 LMNA 4070/4885ALDH1A1 4636/4885MAPT 866/4885
US-20160082102-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS CD4, HAVCR2, CD2 LMNA 4189/4885ALDH1A1 4530/4885MAPT 1075/4885

“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.