SCHEMBL17873457

SCHEMBL17873457

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
ALDH1A1 P00352 4/20 0.39
HIF1A Q16665 1/20 0.39
CYP19A1 P11511 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
HSPB1 P04792 3/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX12 P18054 1/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 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
SCHEMBL5252228 0.84 CYP19A1 (0.55) ALDH1A1CYP19A1LMNAHTTTSHR
Ethylene SCHEMBL28777120 0.79 CYP19A1 (0.50) ALDH1A1CYP19A1LMNAHTTTSHR
SCHEMBL2167915 0.74 ALDH1A1 (0.50) ALDH1A1HIF1ACYP19A1LMNAHTT
SCHEMBL30919597 0.74 ALDH1A1 (0.50) ALDH1A1CYP19A1LMNAHTTTSHR
SCHEMBL7666882 0.74 CYP19A1 (0.39) ALDH1A1CYP19A1LMNAHTTTSHR
SCHEMBL529746 0.74 MAPT (0.50) HCAR2ALDH1A1CYP19A1LMNAHTT
SCHEMBL488024 0.74 TSHR (0.58) HCAR2ALDH1A1CYP19A1LMNAHTT
SCHEMBL826834 0.74 ALDH1A1 (0.50) HCAR2ALDH1A1CYP19A1LMNAHTT
SCHEMBL3607175 0.74 LMNA (0.42) ALDH1A1CYP19A1LMNAHTTTSHR
SCHEMBL14792479 0.74 CYP19A1 (0.39) ALDH1A1CYP19A1LMNAHTTTSHR

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12410183-B2 Sars-cov2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 EP disclosed
EP-4558489-A1 HETEROARYL DERIVATIVES AS DDRs INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2025-05-28 EP disclosed
CN-119731159-A SARS-CoV2 main proteinase inhibitor 吉利德科学公司 2025-03-28 CN disclosed
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 US disclosed
US-12091420-B2 SARS-COV2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2024-09-17 US disclosed
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 US disclosed
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-04-11 US disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 WO disclosed
WO-2024017876-A1 HETEROARYL DERIVATIVES AS DDRs INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-01-25 WO disclosed
CN-114315595-B Preparation method of carbon-supported iron-based catalyst and application of intermediate synthesis of anticancer inhibitor of carbon-supported iron-based catalyst 奥锐特药业股份有限公司 2023-12-05 CN disclosed
WO-2023098592-A1 PREPARATION METHOD FOR CARBON-LOADED IRON-BASED CATALYST AND USE THEREOF IN SYNTHESIS OF INTERMEDIATES OF ANTI-CANCER INHIBITORS 奥锐特药业股份有限公司 2023-06-08 WO disclosed
CN-114315595-A Preparation method of carbon-supported iron-based catalyst and synthesis application of anti-cancer inhibitor intermediate thereof 湖南大学 2022-04-12 CN disclosed
WO-2021121420-A1 BENZOPYRAZOLE COMPOUND AND INTERMEDIATE, PREPARATION METHOD, AND APPLICATION THEREOF 江苏凯迪恩医药科技有限公司 2021-06-24 WO disclosed
EP-3237385-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2017-11-01 EP disclosed
WO-2016106331-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE UNITED STATES OF AMERICA (US) 2016-06-30 WO disclosed
CN-101516889-B Derivatives and analogs of n-ethylquinolones and n-ethylazaquinolones GLAXO GROUP LTD 2013-07-31 CN disclosed
CN-101516889-A Derivatives and analogs of n-ethylquinolones and n-ethylazaquinolones GLAXO GROUP LTD (GB) 2009-08-26 CN disclosed
CN-1053065-A AZAOXINDOLE DERIVATIVES PFIZER (US) 1991-07-17 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 (5 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-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE HCAR2 2305/4885ALDH1A1 3259/4885HIF1A 2905/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE HCAR2 2305/4885ALDH1A1 3259/4885HIF1A 2905/4885
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE HCAR2 2305/4885ALDH1A1 3259/4885HIF1A 2905/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE HCAR2 2305/4885ALDH1A1 3259/4885HIF1A 2905/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE HCAR2 2305/4885ALDH1A1 3259/4885HIF1A 2905/4885

“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.