Sugi Predict

Sugi Predict / Compounds / SCHEMBL39366

SCHEMBL39366

SCHEMBL39366

COC(=O)c1cc(C(N)=O)cc([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.68
▸ CYP3A4 P08684 1/20 0.68
▸ HTT P42858 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ POLB P06746 2/20 0.56
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ MAPT P10636 3/20 0.52
▸ TSHR P16473 2/20 0.51
▸ RECQL P46063 1/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ LMNA P02545 1/20 0.48
▸ AHR P35869 1/20 0.48

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
SCHEMBL561284 0.91 HTT (0.64) SMN1; SMN2HTTGAAPOLBMEN1
Methyl 3,5-Dinitrobenzoate SCHEMBL418416 0.88 SMN1; SMN2 (0.60) SMN1; SMN2CYP3A4HTTGAAPOLB
SCHEMBL7100948 0.87 NPC1 (0.66) SMN1; SMN2CYP3A4HTTGAAPOLB
SCHEMBL8762477 0.86 HTT (0.59) SMN1; SMN2HTTGAAPOLBMEN1
SCHEMBL3087777 0.86 CYP3A4 (0.91) SMN1; SMN2CYP3A4GAAKMT2ATSHR
SCHEMBL15297092 0.85 SMN1; SMN2 (0.70) SMN1; SMN2CYP3A4HTTGAAPOLB
SCHEMBL583563 0.85 HTT (0.58) SMN1; SMN2HTTGAAPOLBMEN1
SCHEMBL4731202 0.85 HTT (0.58) SMN1; SMN2HTTGAAPOLBMEN1
SCHEMBL38446 0.85 HTT (0.58) SMN1; SMN2HTTGAAPOLBMEN1
SCHEMBL16960801 0.85 HTT (0.58) SMN1; SMN2HTTGAAPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2214669-B1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2015-04-01 — — EP disclosed
EP-2214669-B1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2015-04-01 — — EP disclosed
CN-102617578-A Imidazole derivative and medicine application thereof HUTCHISON WHAMPOA SHANGHAI LTD 2012-08-01 — — CN disclosed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 — — WO disclosed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 — — WO disclosed
US-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 — — US disclosed
US-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 — — US disclosed
US-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 — — US disclosed
US-7868001-B2 Cytokine inhibitors HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2011-01-11 — — US disclosed
US-7868001-B2 Cytokine inhibitors HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2011-01-11 — — US disclosed
US-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (CN) 2009-05-07 — — US disclosed
US-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (CN) 2009-05-07 — — US disclosed
US-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (CN) 2009-05-07 — — US disclosed
WO-2009059162-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2009-05-07 — — WO disclosed
CN-101423518-A Imidazole derivative and medical application thereof HUTCHISON MEDIPHARMA SHANGHAI (CN) 2009-05-06 — — CN disclosed
WO-2007085833-A2 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-08-02 — — WO disclosed
US-20060211740-A1 Novel compounds GLAXO GROUP LIMITED 2006-09-21 — — US disclosed
EP-1611089-A2 HYDROXYETHYLAMINE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2006-01-04 — — EP disclosed
WO-2004080376-A2 HYDROXYETHYLAMINE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY FOR THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-09-23 — — WO disclosed
US-5770380-A Synthetic antibody mimics--multiple peptide loops attached to a molecular scaffold UNIVERSITY OF PITTSBURGH (US) 1998-06-23 — — 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 (3 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-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer IL1B, IL1A, IL17A SMN1; SMN2 4477/4885CYP3A4 3059/4885HTT 4775/4885
US-20110046108-A1 PYRIMIDINE DERIVATIVES EPHB4, EPHB1, EPHB3 SMN1; SMN2 3091/4885CYP3A4 1160/4885HTT 4600/4885
US-20060211740-A1 Novel compounds BACE2, BACE1, PSEN2 SMN1; SMN2 756/4885CYP3A4 4459/4885HTT 51/4885

“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.