Sugi Predict

Sugi Predict / Compounds / SCHEMBL4701140

SCHEMBL4701140

SCHEMBL4701140

COCOc1cccc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.61
▸ CHRNA4 P43681 2/20 0.61
▸ MAOB P27338 2/20 0.53
▸ CHRNB4 P30926 1/20 0.52
▸ CHRNA3 P32297 1/20 0.52
▸ TSHR P16473 3/20 0.52
▸ LMNA P02545 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ GRM5 P41594 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ACHE P22303 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MAOA P21397 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
SCHEMBL16178929 0.90 CHRNB2 (0.64) CHRNB2CHRNA4MAOBCHRNB4CHRNA3
Hydrochloric Acid SCHEMBL10551164 0.88 CHRNB2 (0.62) CHRNB2CHRNA4MAOBCHRNB4CHRNA3
Hydrochloric Acid SCHEMBL10551171 0.88 CHRNB2 (0.62) CHRNB2CHRNA4MAOBCHRNB4CHRNA3
Hydrochloric Acid SCHEMBL10551173 0.88 CHRNB2 (0.62) CHRNB2CHRNA4MAOBCHRNB4CHRNA3
SCHEMBL30833154 0.85 CHRNB2 (0.68) CHRNB2CHRNA4MAOBCHRNB4CHRNA3
SCHEMBL3460244 0.85 CHRNB2 (0.68) CHRNB2CHRNA4MAOBCHRNB4CHRNA3
SCHEMBL1008449 0.84 CHRNB2 (0.58) CHRNB2CHRNA4MAOBCHRNB4CHRNA3
SCHEMBL2063354 0.84 CHRNB2 (0.67) CHRNB2CHRNA4MAOBCHRNB4CHRNA3
SCHEMBL31037156 0.83 CHRNB2 (0.65) CHRNB2CHRNA4MAOBCHRNB4CHRNA3
SCHEMBL1985000 0.83 CHRNB2 (0.65) CHRNB2CHRNA4MAOBCHRNB4CHRNA3

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
WO-2026102344-A2 NEAR INFRARED FLUOROPHORES FOR PERIPHERAL AND CENTRAL NERVE IMAGING OREGON HEALTH & SCIENCE UNIVERSITY (US) 2026-05-15 — — WO disclosed
CN-107428705-B Histone deacetylase inhibitor and preparation method and application thereof 广东众生药业股份有限公司 2021-03-16 — — CN disclosed
US-20180098990-A1 HISTONE DEACETYLASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-12 — — US disclosed
US-20180098990-A1 HISTONE DEACETYLASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-12 — — US disclosed
EP-3272742-A1 HISTONE DEACETYLASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-01-24 — — EP disclosed
CN-104277051-B 4 aminothiophenes simultaneously [3,2 C] carboxylic acid derivates of pyridine 7 霍夫曼-拉罗奇有限公司 2017-06-09 — — CN disclosed
EP-1926737-B1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-03-15 — — EP disclosed
CN-106045923-A Histone deacetylase inhibitor and preparation method and application thereof 广东众生药业股份有限公司 2016-10-26 — — CN disclosed
WO-2016146074-A1 HISTONE DEACETYLASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF 广东众生药业股份有限公司 2016-09-22 — — WO disclosed
CN-101263145-B 4-amino-thieno [3,2-C ] pyridine-7-carboxylic acid derivatives HOFFMANN LA ROCHE 2015-02-25 — — CN disclosed
CN-101263145-A 4-amino-thieno [3, 2-C ] pyridine-7-carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 2008-09-10 — — CN disclosed
EP-1926737-A1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-04 — — EP disclosed
WO-2007031428-A1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 — — WO disclosed
US-20070060607-A1 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives BARTKOVITZ DAVID J 2007-03-15 — — US disclosed
US-6486326-B2 DNA ALKYLATING COMPOUNDS SUCH AS 1-(TERT-BUTYLOXYCARBONYL) -4-HYDROXY-3(((METHANE-SULFONYL)OXY)METHYL)-2,3-DIHYDROINDOLE THE SCRIPPS RESEARCH INSTITUTE 2002-11-26 — — US disclosed
EP-1042285-A4 iso-CBI AND iso-CI ANALOGS OF CC-1065 AND THE DUOCARMYCINS SCRIPPS RESEARCH INST (US) 2002-11-20 — — EP disclosed
US-20020049335-A1 iso-CBI and iso-CI analogs of CC-1065 duocarmycins THE SCRIPPS RESEARCH INSTITUTE (US) 2002-04-25 — — US disclosed
US-6262271-B1 COMPOUNDS HAVING DNA ALKYLATION AND ANTITUMOR ANTIBIOTIC ACTIVITIES THE SCRIPPS RESEARCH INSTITUTE 2001-07-17 — — US disclosed
EP-1042285-A1 iso-CBI AND iso-CI ANALOGS OF CC-1065 AND THE DUOCARMYCINS The Scripps Research Institute (US) 2000-10-11 — — EP disclosed
WO-1999019298-A1 iso-CBI AND iso-CI ANALOGS OF CC-1065 AND THE DUOCARMYCINS THE SCRIPPS RESEARCH INSTITUTE (US) 1999-04-22 — — 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 (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-20180098990-A1 HISTONE DEACETYLASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF HDAC1, HDAC5, HDAC9 CHRNB2 3222/4885CHRNA4 1721/4885MAOB 894/4885
US-20020049335-A1 iso-CBI and iso-CI analogs of CC-1065 duocarmycins DBI, CCNI, DCK CHRNB2 3127/4885CHRNA4 2687/4885MAOB 3031/4885
US-20070060607-A1 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives BRAF, RAF1, MAP3K7 CHRNB2 4701/4885CHRNA4 4710/4885MAOB 1364/4885

“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.