Sugi Predict

Sugi Predict / Compounds / SCHEMBL539611

SCHEMBL539611

SCHEMBL539611

Cc1c([N+](=O)[O-])cc[n+]([O-])c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.52
▸ TSHR P16473 6/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPT P10636 4/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.41
▸ CYP3A4 P08684 2/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ S1PR4 O95977 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL29440728 1.00 TDP1 (0.52) TDP1TSHRSMN1; SMN2MAPTL3MBTL1
SCHEMBL2511534 0.84 TDP1 (0.52) TDP1TSHRSMN1; SMN2MAPTL3MBTL1
SCHEMBL27331521 0.81 TDP1 (0.48) TDP1TSHRSMN1; SMN2MAPTL3MBTL1
SCHEMBL21644467 0.81 TDP1 (0.48) TDP1TSHRSMN1; SMN2MAPTL3MBTL1
SCHEMBL28224311 0.81 TDP1 (0.48) TDP1TSHRSMN1; SMN2MAPTL3MBTL1
SCHEMBL9455835 0.81 MAPT (0.41) TDP1TSHRSMN1; SMN2MAPTL3MBTL1
SCHEMBL192328 0.81 TDP1 (0.46) TDP1TSHRSMN1; SMN2MAPTL3MBTL1
SCHEMBL31329852 0.81 CYP1A2 (0.42) TDP1TSHRSMN1; SMN2MAPTL3MBTL1
SCHEMBL27875406 0.81 CYP1A2 (0.42) TDP1TSHRSMN1; SMN2MAPTL3MBTL1
SCHEMBL13755914 0.78 TDP1 (0.50) TDP1TSHRSMN1; SMN2MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104592107-B Synthesis method of 2,3-dimethyl-4-nitropyridine-N-oxide 江苏中邦制药有限公司 2017-01-11 — — CN claimed
CN-104744437-A Rabeprazole preparation method LI LEI 2015-07-01 — — CN claimed
CN-104592107-A Synthesis method of 2,3-dimethyl-4-nitropyridine-N-oxide JIANGSU ZHONGBANG PHARMACEUTICAL CO LTD 2015-05-06 — — CN claimed
CN-102838537-B Preparation method of lansoprazole intermediate Shouguang fukang pharmaceutical co ltd 2014-04-09 — — CN claimed
CN-103539729-A Industrial production method of chloromethyl pyridine derivative ANHUI COSTAR BIO CHEMICAL CO LTD 2014-01-29 — — CN claimed
US-7732534-B2 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2010-06-08 — — US claimed
CN-101318879-A Method for preparing lansoprazole midbody HAICHAO LI (CN) 2008-12-10 — — CN claimed
US-20080051519-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2008-02-28 — — US claimed
US-20080051552-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION 2008-02-28 — — US claimed
CN-1132832-C Prepn process of 3-methyl-4 [(3-methoxy) propoxy]2-radical-methyl-thio-benzimidazole SHANDONG XINHUA PHARMACEUTICAL (CN) 2003-12-31 — — CN claimed
CN-1370771-A Prepn process of 3-methyl-4 [(3-methoxy) propoxy]2-radical-methyl-thio-benzimidazole SHANDONG XINHUA PHARMACEUTICAL (CN) 2002-09-25 — — CN claimed
EP-0297783-B1 A method of producing 4-alkoxypyridine-1-oxides TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-12-28 — — EP claimed
US-4920230-A REACTING NITRO COMPOUND WITH ALCOHOLATE IN PRESENCE OF PHASE TRANSFER CATALYST AND BASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-24 — — US claimed
EP-0297783-A2 A method of producing 4-alkoxypyridine-1-oxides Takeda Chemical Industries, Ltd. (JP) 1989-01-04 — — EP claimed
US-12559475-B2 Tetrazine compound capable of having rapid cycloaddition reaction with non-strained olefinic boronic acid and biomedical application thereof NANJING UNIVERSITY (CN) 2026-02-24 — — US disclosed
US-20250250250-A1 TETRAZINE COMPOUND CAPABLE OF HAVING RAPID CYCLOADDITION REACTION WITH NON-STRAINED OLEFINIC BORONIC ACID AND BIOMEDICAL APPLICATION THEREOF NANJING UNIVERSITY (CN) 2025-08-07 — — US disclosed
CN-117700394-B Tetrazine compound capable of performing rapid cycloaddition reaction on non-tensinogenic boric acid and biomedical application thereof 南京大学 2024-05-28 — — CN disclosed
EP-0167943-A2 Benzimidazole derivatives, process for their preparation, and their use as pharmaceuticals BEECHAM GROUP PLC (GB) 1986-01-15 — — EP disclosed
US-4472409-A ANTIULCER AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-09-18 — — US disclosed
US-4413128-A Nitropyridine-N-oxide molecular crystals CHEMLA DANIEL S 1983-11-01 — — 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 (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-12559475-B2 Tetrazine compound capable of having rapid cycloaddition reaction with non-strained olefinic boronic acid and biomedical application thereof ERBB2, SLC7A1, BCL6 TDP1 2787/4885TSHR 260/4885SMN1; SMN2 476/4885
US-20250250250-A1 TETRAZINE COMPOUND CAPABLE OF HAVING RAPID CYCLOADDITION REACTION WITH NON-STRAINED OLEFINIC BORONIC ACID AND BIOMEDICAL APPLICATION THEREOF TBCA, BTD, TBC1D15 TDP1 1147/4885TSHR 322/4885SMN1; SMN2 1569/4885

“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.