Sugi Predict

Sugi Predict / Compounds / SCHEMBL504875

SCHEMBL504875

SCHEMBL504875

Nc1cccc(C(F)(F)F)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAPT P10636 5/20 0.39
▸ LMNA P02545 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.38
▸ PDE7A Q13946 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ ABCC8 Q09428 2/20 0.36
▸ KCNJ11 Q14654 2/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ ADORA3 P0DMS8 3/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ TSHR P16473 3/20 0.36

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
SCHEMBL29745147 1.00 EPAS1 (0.40) EPAS1ALDH1A1TDP1MAPTLMNA
SCHEMBL1995800 0.86 TDP1 (0.46) EPAS1ALDH1A1TDP1LMNAABCC8
SCHEMBL11136494 0.83 FFAR4 (0.42) EPAS1ALDH1A1TDP1MAPTFFAR4
SCHEMBL11551067 0.80 TDP1 (0.52) ALDH1A1TDP1MAPTLMNAPDE7A
SCHEMBL3390153 0.80 TDP1 (0.52) ALDH1A1TDP1MAPTLMNAPDE7A
SCHEMBL1459395 0.79 TSHR (0.53) EPAS1ALDH1A1TDP1ABCC8KCNJ11
SCHEMBL972079 0.79 ALDH1A1 (0.41) EPAS1ALDH1A1TDP1MAPTLMNA
SCHEMBL27537241 0.78 PDE7A (0.43) EPAS1ALDH1A1TDP1MAPTFFAR4
SCHEMBL3520821 0.78 ALDH1A1 (0.64) EPAS1ALDH1A1TDP1MAPTMEN1
SCHEMBL2792217 0.78 GPR35 (0.56) EPAS1ALDH1A1TDP1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7539006-B2 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2009-05-26 — — US claimed
US-20070029529-A1 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor KOMATSU AKIHIKO 2007-02-08 — — US claimed
US-20040245105-A1 Electrolyte solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2004-12-09 — — US claimed
EP-1437749-A1 ELECTROLYTE SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR Rubycon Corporation (JP) 2004-07-14 — — EP claimed
US-20240383876-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2024-11-21 — — US disclosed
EP-4198031-A1 TLR7/8 ANTAGONISTS AND USES THEREOF Merck Patent GmbH (DE) 2023-06-21 — — EP disclosed
EP-3497094-B1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-02-15 — — EP disclosed
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 — — US disclosed
US-11512069-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2022-11-29 — — US disclosed
EP-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 — — EP disclosed
WO-2021055591-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 — — WO disclosed
CN-104030987-B DIHYDROOROTATE DEHYDROGENASE INHIBITORS 默克雪兰诺有限公司 2017-04-12 — — CN disclosed
EP-1437749-A1 ELECTROLYTE SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR Rubycon Corporation (JP) 2004-07-14 — — EP disclosed
EP-1368679-A1 FUNCTIONAL MATERIALS FOR USE IN OPTICAL SYSTEMS BATTELLE MEMORIAL INSTITUTE (US) 2003-12-10 — — EP disclosed
WO-2002069002-A1 FUNCTIONAL MATERIALS FOR USE IN OPTICAL SYSTEMS BATTELLE MEMORIAL INSTITUTE (US) 2002-09-06 — — WO disclosed
EP-0377112-B1 Quinoxaline compounds and their preparation and use NOVO NORDISK AS (DK) 1994-08-24 — — EP disclosed
US-5061706-A 2,3-QUINOXALINEDIONES FOR USE AS NEUROLEPTICS NOVO NORDISK A/S (DK) 1991-10-29 — — US disclosed
EP-0377112-A1 Quinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1990-07-11 — — EP disclosed
US-4263441-A BENZOXAZOLE DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1981-04-21 — — US disclosed
EP-0002030-A1 Fluorinated benzazole derivatives, method for their preparation and their use as optical brighteners HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-30 — — 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-11512069-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 EPAS1 1780/4885ALDH1A1 2999/4885TDP1 902/4885
US-20240383876-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 EPAS1 2359/4885ALDH1A1 2802/4885TDP1 924/4885
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GAA, GBA1, CLN6 EPAS1 3700/4885ALDH1A1 1096/4885TDP1 1594/4885

“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.