SCHEMBL122944

SCHEMBL122944

COc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.66
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 5/20 0.56
HIF1A Q16665 1/20 0.56
PKM P14618 1/20 0.54
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSPB1 P04792 2/20 0.50
PTGS2 P35354 2/20 0.49
CYP19A1 P11511 1/20 0.49
WDR5 P61964 1/20 0.48
KMT2A Q03164 2/20 0.48
GLA P06280 1/20 0.47
EPHX1 P07099 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL29829398 1.00 HTT (0.66) HTTTDP1ALDH1A1HIF1APKM
SCHEMBL2938530 0.88 HTT (0.53) HTTTDP1ALDH1A1HIF1APKM
SCHEMBL11689380 0.86 PDGFRB (0.51) HTTTDP1ALDH1A1HIF1APKM
SCHEMBL296681 0.85 TDP1 (0.64) HTTTDP1ALDH1A1HIF1APKM
SCHEMBL25356037 0.84 HSPB1 (0.58) HTTTDP1ALDH1A1HIF1AHSPB1
SCHEMBL29441283 0.82 HTT (0.72) HTTTDP1ALDH1A1PKMLMNA
SCHEMBL527567 0.82 HTT (0.72) HTTTDP1ALDH1A1PKMLMNA
SCHEMBL20335461 0.82 HTT (0.49) HTTTDP1ALDH1A1HIF1APKM
SCHEMBL5839346 0.81 ALDH1A1 (0.56) HTTTDP1ALDH1A1HIF1ALMNA
SCHEMBL31506375 0.81 CYP19A1 (0.57) HTTTDP1ALDH1A1HIF1APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119306708-A FLT3-HDAC double-target inhibitor and preparation method and application thereof 山东大学 2025-01-14 CN claimed
CN-117913367-A Preparation method of composite organic solvent, electrolyte and lithium-sulfur battery 东方电气集团科学技术研究院有限公司 2024-04-19 CN claimed
CN-116768729-A Synthesis method of 2-fluoro-5-nitroanisole 西安宇特邦医药科技有限公司 2023-09-19 CN claimed
US-20260137703-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECH LIMITED (GB) 2026-05-21 US disclosed
EP-3233077-B1 DOPAMINE D2 RECEPTOR LIGANDS BROAD INST INC (US) 2026-05-06 EP disclosed
EP-3941459-B1 QUINOLINE AND QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF STINGRAY THERAPEUTICS INC (US) 2026-05-06 EP disclosed
US-12612413-B2 Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (CN) 2026-04-28 US disclosed
EP-4727943-A1 INHIBITORS OF MET KINASE Celyn Therapeutics, Inc. (US) 2026-04-22 EP disclosed
EP-4713096-A1 CDK INHIBITOR COMPOUNDS Aleksia Therapeutics, Inc. (US) 2026-03-25 EP disclosed
CN-121586713-A Quinoline derivatives and pharmaceutical compositions thereof for the treatment of diseases 百济神州(苏州)生物科技有限公司 2026-02-27 CN disclosed
US-12428373-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2025-09-30 US disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 US disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 WO disclosed
CN-1158238-C Haloacetophenone derivative and its synthesis process 大连绿源新化学药业股份有限公司 2004-07-21 CN disclosed
CN-1447797-A New process for preparing quinolone-carboxylic acid DALIAN LYNCHEM CO LTD (CN) 2003-10-08 CN disclosed
CN-1320591-A Haloacetophenone derivative and its synthesis process LUYUAN INDUSTRY CO LTD DALIAN (CN) 2001-11-07 CN disclosed
US-5948906-A CROWN ETHERS THAT CONTAIN AT LEAST ONE CORE NITROGEN THAT ARE LINKED VIA THE CORE NITROGEN(S) TO AT LEAST ONE FLUOROPHORE THAT CONTAINS AN ADDITIONAL HETEROAROMATIC LIGANDING THE CENTER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-09-07 US disclosed
EP-0369733-B1 Fluorescent indicator dyes for alkali metal cations, their preparation and use UNIV CALIFORNIA (US) 1996-02-21 EP disclosed
US-5134232-A Diagnosis; concentration in blood THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-07-28 US disclosed
US-4044049-A Phenyl benzoic acid compounds MERCK & CO., INC. (US) 1977-08-23 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 (4 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-20260137703-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER EGFR, KRAS, O60361 HTT 3312/4885TDP1 1531/4885ALDH1A1 999/4885
US-12612413-B2 Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same CASP6, CASP3, BAX HTT 1662/4885TDP1 554/4885ALDH1A1 4013/4885
US-12428373-B2 Dopamine D2 receptor ligands DRD2, SLC6A3, NTSR2 HTT 536/4885TDP1 2036/4885ALDH1A1 1919/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 HTT 3478/4885TDP1 3835/4885ALDH1A1 951/4885

“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.