Sugi Predict

Sugi Predict / Compounds / SCHEMBL61129

SCHEMBL61129

SCHEMBL61129

Cc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.67
▸ TSHR P16473 5/20 0.67
▸ TDP1 Q9NUW8 2/20 0.67
▸ GPR35 Q9HC97 3/20 0.62
▸ CYP3A4 P08684 2/20 0.62
▸ TP53 P04637 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ GAA P10253 2/20 0.60
▸ THRB P10828 1/20 0.60
▸ ERN1 O75460 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ ACHE P22303 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.49
▸ ALOX15 P16050 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ GLA P06280 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
SCHEMBL28298962 0.98 ALDH1A1 (0.64) ALDH1A1TSHRTDP1GPR35CYP3A4
SCHEMBL28782982 0.89 PDE10A (0.63) ALDH1A1TSHRTDP1GPR35CYP3A4
SCHEMBL29431205 0.85 ALDH1A1 (0.56) ALDH1A1TSHRTDP1GPR35CYP3A4
SCHEMBL16701937 0.85 HSD17B1 (0.51) ALDH1A1TSHRTDP1GPR35CYP3A4
SCHEMBL27661134 0.84 TSHR (0.54) ALDH1A1TSHRTDP1GPR35CYP3A4
SCHEMBL61902 0.83 ALDH1A1 (0.67) ALDH1A1TSHRTDP1GPR35CYP3A4
Ammonia Solution, Strong SCHEMBL9388499 0.82 ALDH1A1 (0.64) ALDH1A1TSHRTDP1GPR35CYP3A4
SCHEMBL12932222 0.81 TDP1 (0.48) ALDH1A1TSHRTDP1GPR35CYP3A4
SCHEMBL10242033 0.81 ALDH1A1 (0.64) ALDH1A1TSHRTDP1GPR35TP53
SCHEMBL16076897 0.81 TSHR (0.56) ALDH1A1TSHRTDP1THRBACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025149479-A1 SYNTHESIS OF MODIFIED NUCLEOSIDE TRIPHOSPHATES ROCHE DIAGNOSTICS GMBH (DE) 2025-07-17 — — WO claimed
CN-119899194-B Bicyclic heteroaryl BRAF negative allosteric modulator, and preparation method and application thereof 浙江省人民医院 2025-06-24 — — CN claimed
CN-119899194-A Bicyclic heteroaryl BRAF negative allosteric modulator, and preparation method and application thereof 浙江省人民医院 2025-04-29 — — CN claimed
CN-115920972-A Synthetic method and application of high-efficiency catalytic reduction nitroaromatic catalytic material 南京师范大学 2023-04-07 — — CN claimed
US-20220372008-A1 LUCIFERIN DERIVATIVES AND A METHOD FOR SYNTHESIS THEREOF VIDYASIRIMEDHI INSTITUTE OF SCIENCE AND TECHNOLOGY (TH) 2022-11-24 — — US claimed
CN-114031619-A Preparation method of intermediate of Tecatinib 山东汇海医药化工有限公司 2022-02-11 — — CN claimed
CN-112517037-A Copper-nitrogen-carbon catalyst with pumpkin as precursor and preparation method and application thereof 扬州大学 2021-03-19 — — CN claimed
CN-109942576-B Irbinitinib and preparation method of intermediate 上海工程技术大学 2020-09-11 — — CN claimed
CN-109942576-A The preparation method and intermediate of Irbinitinib 上海工程技术大学 2019-06-28 — — CN claimed
US-20190106381-A1 HYDROXAMIC ACID TYPE CONTRAST AGENT CONTAINING RADIOISOTOPE FLUORIDE, PREPARATION METHOD AND APPLICATION THEREOF Institute of Nuclear Energy Research, Atomic Energy Council, Executive Yuan, R.O.C (TW) 2019-04-11 — — US claimed
CN-105936626-B A kind of preparation method of amino protecting group 济南大学 2017-11-03 — — CN claimed
CN-105936626-A Preparation method of amino protection group 济南大学 2016-09-14 — — CN claimed
CN-102173992-A Preparation method of nitrophenol compounds UNIV NANTONG 2011-09-07 — — CN claimed
CN-101150196-A Electrolyte film comprising nano compound ion complex, its manufacture method and its fuel cell comprising same SAMSUNG SDI CO LTD (KR) 2008-03-26 — — CN claimed
CN-1185240-C Process for one-stage synthesizing substituted diaryl organic metal phosphate SHANGHAI SHENGLIN NEW MATERIAL (CN) 2005-01-19 — — CN claimed
EP-0922050-B1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-07-30 — — EP claimed
CN-1358728-A Process for one-stage synthesizing substituted diaryl organic metal phosphate SHANGHAI CHENGLIN NEW MATERIAL (CN) 2002-07-17 — — CN claimed
EP-0922050-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1999-06-16 — — EP claimed
US-5750510-A ANTIBIOTICS ABBOTT LABORATORIES (US) 1998-05-12 — — US claimed
WO-1997042205-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1997-11-13 — — WO claimed

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-20190106381-A1 HYDROXAMIC ACID TYPE CONTRAST AGENT CONTAINING RADIOISOTOPE FLUORIDE, PREPARATION METHOD AND APPLICATION THEREOF HDAC9, HDAC1, HDAC7 ALDH1A1 1400/4885TSHR 378/4885TDP1 808/4885
US-20220372008-A1 LUCIFERIN DERIVATIVES AND A METHOD FOR SYNTHESIS THEREOF NQO1, DDT, GLO1 ALDH1A1 189/4885TSHR 3539/4885TDP1 957/4885

“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.