Sugi Predict

Sugi Predict / Compounds / SCHEMBL4701907

SCHEMBL4701907

SCHEMBL4701907

COCOc1cccc(N)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.66
▸ TP53 P04637 1/20 0.66
▸ ALDH1A1 P00352 1/20 0.61
▸ TSHR P16473 1/20 0.56
▸ MAOB P27338 3/20 0.55
▸ APP P05067 1/20 0.50
▸ POLB P06746 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CASP1 P29466 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ FYN P06241 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LTA4H P09960 1/20 0.39

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
SCHEMBL30451644 0.87 CYP3A4 (0.69) CYP3A4TP53ALDH1A1TSHRMAOB
SCHEMBL7747989 0.87 CYP3A4 (0.69) CYP3A4TP53ALDH1A1TSHRMAOB
SCHEMBL1607526 0.85 MAOB (0.48) CYP3A4TP53ALDH1A1TSHRMAOB
SCHEMBL656922 0.82 TSHR (0.64) CYP3A4TP53ALDH1A1TSHRMAOB
SCHEMBL29684573 0.82 TSHR (0.64) CYP3A4TP53ALDH1A1TSHRMAOB
SCHEMBL2062745 0.81 TSHR (0.67) CYP3A4TP53ALDH1A1TSHRMAOB
SCHEMBL5685056 0.81 CYP3A4 (0.72) CYP3A4TP53ALDH1A1TSHRMAOB
Hydrochloric Acid SCHEMBL2480846 0.81 TSHR (0.62) CYP3A4TP53ALDH1A1TSHRMAOB
SCHEMBL17460808 0.81 CYP3A4 (0.61) CYP3A4TP53ALDH1A1TSHRMAOB
SCHEMBL21694001 0.80 CYP3A4 (0.60) CYP3A4TP53ALDH1A1TSHRMAOB

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 21 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
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
EP-1926737-B1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-03-15 — — EP 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-104277051-A 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives HOFFMANN LA ROCHE 2015-01-14 — — 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
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
EP-0726254-B1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS (JP) 1998-05-06 — — EP disclosed
US-5627193-A MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-06 — — US disclosed
EP-0726254-A1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-08-14 — — EP 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 CYP3A4 323/4885TP53 2767/4885ALDH1A1 671/4885
US-20020049335-A1 iso-CBI and iso-CI analogs of CC-1065 duocarmycins DBI, CCNI, DCK CYP3A4 1783/4885TP53 187/4885ALDH1A1 2614/4885
US-20070060607-A1 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives BRAF, RAF1, MAP3K7 CYP3A4 2697/4885TP53 212/4885ALDH1A1 933/4885

“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.