Sugi Predict

Sugi Predict / Compounds / SCHEMBL826834

SCHEMBL826834

SCHEMBL826834

O=[N+]([O-])c1cncc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.42
▸ HCAR2 Q8TDS4 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ AHR P35869 1/20 0.40
▸ CYP19A1 P11511 1/20 0.39
▸ LMNA P02545 4/20 0.39
▸ HTT P42858 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ NOS1 P29475 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
Ethylene SCHEMBL27728657 0.96 ALDH1A1 (0.47) ALDH1A1TDP1HSD17B10HCAR2TSHR
SCHEMBL5252228 0.84 CYP19A1 (0.55) ALDH1A1TSHRCYP19A1LMNAHTT
Ethylene SCHEMBL28777120 0.79 CYP19A1 (0.50) ALDH1A1TSHRCYP19A1LMNAHTT
SCHEMBL7501598 0.77 NPC1 (0.46) ALDH1A1TDP1HSD17B10CYP19A1LMNA
SCHEMBL18041293 0.75 ADK (0.46) ALDH1A1TDP1HSD17B10AHRLMNA
SCHEMBL7972129 0.74 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCYP19A1LMNA
SCHEMBL529746 0.74 MAPT (0.50) ALDH1A1HCAR2TSHRCYP19A1LMNA
SCHEMBL7666882 0.74 CYP19A1 (0.39) ALDH1A1TSHRCYP19A1LMNAHTT
SCHEMBL2167915 0.74 ALDH1A1 (0.50) ALDH1A1TDP1HSD17B10TSHRCYP19A1
SCHEMBL488024 0.74 TSHR (0.58) ALDH1A1TDP1HSD17B10HCAR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114945571-B Cyclic compounds and methods of use thereof 薛定谔公司 2025-02-25 — — CN disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 — — US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 — — US disclosed
CN-115201383-B Method for simultaneously determining 5-chloro-2-nitropyridine and isomer thereof 常州合全药业有限公司 2022-12-20 — — CN disclosed
EP-4081526-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2022-11-02 — — EP disclosed
CN-115201383-A Method for simultaneously determining 5-chloro-2-nitropyridine and isomer thereof 常州合全药业有限公司 2022-10-18 — — CN disclosed
CN-114945571-A Cyclic compounds and methods of use thereof 薛定谔公司 2022-08-26 — — CN disclosed
CN-108473464-B Isoindolinone inhibitors of MDM2-P53 interaction with anti-cancer activity 阿斯泰克斯治疗有限公司 2022-08-23 — — CN disclosed
CN-111943889-B Bis-aryl amine compound and preparation method and application thereof 中国医学科学院医药生物技术研究所 2022-07-22 — — CN disclosed
CN-108601788-B EIF 4A-inhibiting compounds and methods relating thereto 效应治疗股份有限公司 2021-10-22 — — CN disclosed
EP-1428824-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBOTT LABORATORIES (US) 2004-06-16 — — EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 — — US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 — — US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 — — EP disclosed
CN-1361774-A Heterocyclic substituted amino nitrogen heterocycles as central nervous system medicaments ABBOTT INC (US) 2002-07-31 — — CN disclosed
EP-1178982-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2002-02-13 — — EP disclosed
WO-2000071534-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2000-11-30 — — WO disclosed
EP-0147105-B1 PHOTOGRAPHIC PRODUCTS EMPLOYING NOVEL NONDIFFUSIBLE HYDRAZONE DYE-RELEASING COMPOUNDS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1988-05-11 — — EP disclosed
US-4548888-A DIFFUSION TRANSFER EASTMAN KODAK COMPANY (US) 1985-10-22 — — US disclosed
EP-0147105-A2 Photographic products employing novel nondiffusible hydrazone dye-releasing compounds EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1985-07-03 — — 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 (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-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 ALDH1A1 3993/4885TDP1 4088/4885HSD17B10 823/4885
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME MALT1, FKBP1B, FKBP1A ALDH1A1 2190/4885TDP1 429/4885HSD17B10 1157/4885

“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.