SCHEMBL2492570

SCHEMBL2492570

CCCCOc1nc(N)c([N+](=O)[O-])c(OS(=O)(=O)c2ccc(C)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
MAPT P10636 4/20 0.44
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MGMT P16455 4/20 0.36
P2RY12 Q9H244 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TSHR P16473 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 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
SCHEMBL17585435 0.85 KEAP1 (0.42) KEAP1NFE2L2P2RY12CA12CA1
SCHEMBL17585445 0.81 MAPT (0.46) LMNAMAPTKEAP1NFE2L2MGMT
SCHEMBL13274957 0.79 MAPT (0.41) LMNAMAPTMGMTALDH1A1HTT
SCHEMBL16182532 0.79 MAPT (0.41) LMNAMAPTMGMTALDH1A1HTT
SCHEMBL16379557 0.78 MAPT (0.41) LMNAMAPTMGMTALDH1A1HTT
SCHEMBL17585433 0.76 MAPT (0.46) LMNAMAPTMGMTALDH1A1HTT
SCHEMBL7484135 0.74 KEAP1 (0.51) LMNAMAPTKEAP1NFE2L2P2RY12
SCHEMBL2459009 0.73 TLR7 (0.38) LMNAMAPTMGMTALDH1A1HTT
SCHEMBL17584795 0.73 TLR7 (0.40) LMNAMAPTMGMTALDH1A1HTT
SCHEMBL7628563 0.72 KEAP1 (0.40) LMNAMAPTKEAP1NFE2L2P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11110091-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2021-09-07 US disclosed
US-20190321366-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2019-10-24 US disclosed
US-10172860-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2019-01-08 US disclosed
US-20180085370-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
US-20180085370-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
EP-3210982-A1 MODULATORS OF TOLL-LIKE RECEPTORS Gilead Sciences, Inc. (US) 2017-08-30 EP disclosed
EP-3210982-A1 MODULATORS OF TOLL-LIKE RECEPTORS Gilead Sciences, Inc. (US) 2017-08-30 EP disclosed
US-20170065592-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2017-03-09 US disclosed
US-20170065592-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2017-03-09 US disclosed
US-20170065592-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2017-03-09 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 (7 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-20180085370-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 LMNA 3449/4885MAPT 4410/4885KEAP1 1012/4885
US-20100143301-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 LMNA 3449/4885MAPT 4410/4885KEAP1 1012/4885
US-10172860-B2 Modulators of toll-like receptors TLR3, TLR2, TLR6 LMNA 3449/4885MAPT 4410/4885KEAP1 1012/4885
US-11110091-B2 Modulators of toll-like receptors TLR3, TLR2, TLR6 LMNA 3449/4885MAPT 4410/4885KEAP1 1012/4885
US-20190321366-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 LMNA 3449/4885MAPT 4410/4885KEAP1 1012/4885
US-20170065592-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 LMNA 3449/4885MAPT 4410/4885KEAP1 1012/4885
US-20130071354-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 LMNA 3449/4885MAPT 4410/4885KEAP1 1012/4885

“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.