Sugi Predict

Sugi Predict / Compounds / SCHEMBL20558558

SCHEMBL20558558

SCHEMBL20558558

Cc1c(F)c([N+](=O)[O-])c(F)c(F)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.39
▸ GRIN2D O15399 5/20 0.37
▸ GRIN3B O60391 5/20 0.37
▸ GRIN1 Q05586 5/20 0.37
▸ GRIN2A Q12879 5/20 0.37
▸ GRIN2B Q13224 5/20 0.37
▸ GRIN2C Q14957 5/20 0.37
▸ GRIN3A Q8TCU5 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ LMNA P02545 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ XBP1 P17861 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ PAX8 Q06710 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7871970 0.92 TSHR (0.39) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28525347 0.84 TSHR (0.46) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8111807 0.83 TSHR (0.39) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28854521 0.83 TSHR (0.43) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28909297 0.83 TSHR (0.39) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9361805 0.83 TSHR (0.39) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25786826 0.82 TDP1 (0.39) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25786776 0.82 TDP1 (0.39) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10976267 0.80 TDP1 (0.38) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17468410 0.80 TDP1 (0.41) TSHRGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894258-A Aromatic diamine monomer and preparation and application thereof 万华化学集团股份有限公司 2023-04-04 — — CN claimed
CN-113511980-B Aromatic polyimide with main chain containing benzonorbornene structure and preparation method thereof 南昌大学 2023-01-31 — — CN claimed
CN-111807964-B Preparation method of 4,4 '-dinitro-2,2' -bis (trifluoromethyl) diphenyl ether 天津众泰材料科技有限公司 2023-01-10 — — CN claimed
CN-115044296-A Fracturing pump plunger processing technology with wear-resistant and corrosion-resistant protective layer 盐城市崇达石化机械有限公司 2022-09-13 — — CN claimed
CN-110465540-B Comprehensive treatment method for removing toxic and harmful garbage 董琳维 2021-10-26 — — CN claimed
CN-113511980-A Aromatic polyimide with main chain containing benzonorbornene structure and preparation method thereof 南昌大学 2021-10-19 — — CN claimed
CN-111807964-A Preparation method of 4,4 '-dinitro-2, 2' -bistrifluoromethyldiphenyl ether 天津市众泰化工科技有限公司 2020-10-23 — — CN claimed
CN-109456482-B Fluorine-containing polyimide polymer, preparation method and polyimide composite film 湖南工学院 2020-05-12 — — CN claimed
CN-104529839-B 4,4 '-two [3,5-bis-(2-trifluoromethyl-4-aminophenoxyl) phenoxy group] diphenyl sulphone (DPS) and its preparation method and application 吉林大学 2016-08-17 — — CN claimed
CN-117701066-B Waterproof and antifouling type water-based environment-friendly ink and preparation method thereof 深圳市方润环境科技有限公司 2024-10-29 — — CN disclosed
CN-117701066-A Waterproof and antifouling type water-based environment-friendly ink and preparation method thereof 深圳市方润环境科技有限公司 2024-03-15 — — CN disclosed
WO-2023216063-A1 METHOD FOR PREPARING 2-SUBSTITUTED ARYL ACETONITRILE COMPOUND AND USE THEREOF 合力科技股份有限公司 2023-11-16 — — WO disclosed
CN-115894258-A Aromatic diamine monomer and preparation and application thereof 万华化学集团股份有限公司 2023-04-04 — — CN disclosed
CN-115703726-A Trifluoromethyl phenyl sulfide compound 上海泰初化工技术有限公司 2023-02-17 — — CN disclosed
CN-107162922-B Allyl-containing polyimide diamine monomer, polyimide polymer thereof and preparation method 吉林大学 2020-04-21 — — CN disclosed
CN-110698647-A Modified epoxy resin and preparation method thereof 苏州大学 2020-01-17 — — CN disclosed
EP-3403651-B1 ISOCORYDINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF LANZHOU INST CHEMICAL PHYSICS CAS (CN) 2019-10-30 — — EP disclosed
US-20180334448-A1 Isocorydine derivatives, preparation method and use thereof LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2018-11-22 — — US disclosed
EP-3403651-A1 ISOCORYDINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF Lanzhou Institute Of Chemical Physics Chinese Academy of Sciences (CN) 2018-11-21 — — EP disclosed
CN-103408442-A Aromatic diamine monomer containing bis(trifluoromethyl), bisisopropyl and fluorenyl structures simultaneously, and preparation method and application thereof UNIV CHANGZHOU 2013-11-27 — — CN 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 (1 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-20180334448-A1 Isocorydine derivatives, preparation method and use thereof CCND2, CCND3, IDH3A TSHR 2078/4885GRIN2D 625/4885GRIN3B 1927/4885

“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.