SCHEMBL13554644

SCHEMBL13554644

CCCOCCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 3/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 4/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
GPR35 Q9HC97 1/20 0.41
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
RECQL P46063 1/20 0.39
GLA P06280 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL13554724 0.98 ALDH1A1 (0.46) MAPTALDH1A1L3MBTL1TDP1LMNA
SCHEMBL13554731 0.90 ALDH1A1 (0.49) MAPTALDH1A1L3MBTL1TDP1LMNA
SCHEMBL17243849 0.87 LMNA (0.50) MAPTALDH1A1L3MBTL1TDP1LMNA
SCHEMBL13554669 0.87 LMNA (0.50) MAPTALDH1A1L3MBTL1TDP1LMNA
SCHEMBL13554730 0.84 KMT2A (0.45) MAPTALDH1A1L3MBTL1TDP1LMNA
SCHEMBL20419955 0.84 KAT2B (0.46) MAPTALDH1A1L3MBTL1TDP1LMNA
SCHEMBL11445418 0.81 MAPT (0.69) MAPTALDH1A1L3MBTL1TDP1LMNA
SCHEMBL13554664 0.80 MAPT (0.63) MAPTALDH1A1L3MBTL1TDP1LMNA
SCHEMBL13554708 0.80 MAPT (0.40) MAPTALDH1A1L3MBTL1TDP1LMNA
SCHEMBL13554634 0.80 MAPT (0.40) MAPTALDH1A1L3MBTL1TDP1LMNA

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 MAPT 866/4885ALDH1A1 4636/4885L3MBTL1 2728/4885
US-20160082102-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS CD4, HAVCR2, CD2 MAPT 1075/4885ALDH1A1 4530/4885L3MBTL1 2810/4885

“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.