SCHEMBL2459009

SCHEMBL2459009

CCCCOc1nc(N)c([N+](=O)[O-])c(O)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.38
MAPT P10636 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
MGMT P16455 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35

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
SCHEMBL16182532 0.90 MAPT (0.41) TLR7MAPTNPC1RAB9AMEN1
SCHEMBL17584798 0.90 MAPT (0.41) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2458774 0.84 TLR7 (0.36) TLR7MAPTALDH1A1SMN1; SMN2MGMT
SCHEMBL17585433 0.84 MAPT (0.46) TLR7MAPTNPC1RAB9AMEN1
SCHEMBL17610248 0.83 MAPT (0.38) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL17584795 0.83 TLR7 (0.40) TLR7MAPTNPC1RAB9AMEN1
SCHEMBL13274957 0.82 MAPT (0.41) TLR7MAPTNPC1RAB9AMEN1
SCHEMBL16379557 0.81 MAPT (0.41) TLR7MAPTNPC1RAB9AMEN1
SCHEMBL20861862 0.77 TLR7 (0.40) TLR7ADORA2AADORA2BTLR8
SCHEMBL17585439 0.76 TLR7 (0.41) TLR7ADORA2AADORA2BTLR8

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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3848375-B1 METHODS OF PREPARING INTERMEDIATES FOR TOLL-LIKE RECEPTOR MODULATORS GILEAD SCIENCES INC (US) 2023-12-27 EP disclosed
CN-115043840-A Methods for preparing TOLL-like receptor modulators 吉利德科学公司 2022-09-13 CN disclosed
CN-107074860-B Methods for preparing TOLL-like receptor modulators 吉利德科学公司 2022-07-15 CN disclosed
US-11110091-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2021-09-07 US disclosed
US-11110091-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2021-09-07 US disclosed
EP-3848375-A1 METHODS OF PREPARING INTERMEDIATES FOR TOLL-LIKE RECEPTOR MODULATORS Gilead Sciences, Inc. (US) 2021-07-14 EP disclosed
EP-3848375-A1 METHODS OF PREPARING INTERMEDIATES FOR TOLL-LIKE RECEPTOR MODULATORS Gilead Sciences, Inc. (US) 2021-07-14 EP disclosed
EP-3461828-B1 METHODS OF PREPARING TOLL-LIKE RECEPTOR MODULATORS GILEAD SCIENCES INC (US) 2020-11-25 EP disclosed
US-20190321366-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2019-10-24 US disclosed
US-20190321366-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2019-10-24 US disclosed
US-20130071354-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2013-03-21 US disclosed
US-8367670-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2013-02-05 US disclosed
US-8367670-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2013-02-05 US disclosed
US-8367670-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2013-02-05 US disclosed
EP-2364314-A1 MODULATORS OF TOLL-LIKE RECEPTORS Gilead Sciences, Inc. (US) 2011-09-14 EP disclosed
WO-2010077613-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2010-07-08 WO disclosed
WO-2010077613-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2010-07-08 WO disclosed
US-20100143301-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2010-06-10 US disclosed
US-20100143301-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2010-06-10 US disclosed
US-20100143301-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2010-06-10 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 (4 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-20100143301-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 TLR7 9/4885MAPT 4410/4885NPC1 1238/4885
US-11110091-B2 Modulators of toll-like receptors TLR3, TLR2, TLR6 TLR7 9/4885MAPT 4410/4885NPC1 1238/4885
US-20190321366-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 TLR7 9/4885MAPT 4410/4885NPC1 1238/4885
US-20130071354-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 TLR7 9/4885MAPT 4410/4885NPC1 1238/4885

“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.