SCHEMBL20876320

SCHEMBL20876320

COc1ccc(COc2cccc([N+](=O)[O-])c2F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 2/20 0.54
HTR1A P08908 3/20 0.48
ADRA1D P25100 3/20 0.48
ADRA1A P35348 3/20 0.48
ADRA1B P35368 3/20 0.48
CYP19A1 P11511 2/20 0.48
DCTPP1 Q9H773 1/20 0.47
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47
MAOB P27338 1/20 0.46
HPGD P15428 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ABCB1 P08183 2/20 0.45
PTGES O14684 2/20 0.45
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL7110475 0.85 HTR1A (0.53) NPC1RAB9AKMT2AHTR1AADRA1D
SCHEMBL7976948 0.84 NPC1 (0.54) NPC1SMN1; SMN2RAB9AKMT2AHTR1A
SCHEMBL30153963 0.83 CYP19A1 (0.47) NPC1SMN1; SMN2RAB9AKMT2ACYP19A1
SCHEMBL30449234 0.82 CYP19A1 (0.51) NPC1SMN1; SMN2RAB9AKMT2AHTR1A
SCHEMBL3873841 0.82 CYP19A1 (0.51) NPC1SMN1; SMN2RAB9AKMT2AHTR1A
SCHEMBL2420234 0.81 NPC1 (0.53) NPC1SMN1; SMN2RAB9AKMT2AHTR1A
SCHEMBL4947178 0.81 SMN1; SMN2 (0.51) NPC1SMN1; SMN2RAB9AKMT2AHTR1A
SCHEMBL4946688 0.80 SMN1; SMN2 (0.50) NPC1SMN1; SMN2RAB9AKMT2AHTR1A
SCHEMBL11693495 0.78 TDP1 (0.67) NPC1SMN1; SMN2RAB9AKMT2ACYP19A1
SCHEMBL14339705 0.77 NPC1 (0.47) NPC1SMN1; SMN2RAB9AKMT2AHTR1A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111417630-B Modulators of interferon gene stimulating factor (STING) 葛兰素史克知识产权开发有限公司 2023-06-06 CN disclosed
US-11377440-B2 Modulators of stimulator of interferon genes (STING) GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-07-05 US disclosed
US-20200291001-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-09-17 US disclosed
EP-3692034-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-08-12 EP disclosed
CN-111417630-A Modulators of interferon gene stimulating factor (STING) 葛兰素史克知识产权开发有限公司 2020-07-14 CN disclosed
WO-2019069270-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-11 WO disclosed
WO-2019069270-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-11 WO 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-11377440-B2 Modulators of stimulator of interferon genes (STING) STING1, IRF3, IFNAR1 NPC1 4463/4885SMN1; SMN2 2468/4885RAB9A 678/4885
US-20200291001-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) STING1, IRF3, IFNAR1 NPC1 4463/4885SMN1; SMN2 2468/4885RAB9A 678/4885

“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.