SCHEMBL129366

SCHEMBL129366

O=C(O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.50
▸ TDP1 Q9NUW8 2/20 0.47
▸ CYP3A4 P08684 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CES2 O00748 1/20 0.46
▸ RXRA P19793 1/20 0.45
▸ RXRB P28702 1/20 0.45
▸ RXRG P48443 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MAPT P10636 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ TXNRD1 Q16881 1/20 0.43
▸ TXNRD3 Q86VQ6 1/20 0.43
▸ TXNRD2 Q9NNW7 1/20 0.43

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
SCHEMBL969123 1.00 TP53 (0.50) TP53TDP1CYP3A4SMN1; SMN2CES2
SCHEMBL8862957 0.88 TTR (0.49) TDP1CYP3A4SMN1; SMN2CES2MEN1
SCHEMBL14785522 0.87 TP53 (0.47) TP53TDP1CYP3A4SMN1; SMN2CES2
SCHEMBL30584226 0.85 ALDH1A1 (0.51) TDP1CYP3A4SMN1; SMN2CES2MEN1
SCHEMBL2651151 0.85 CYP3A4 (0.68) TDP1CYP3A4SMN1; SMN2CES2MEN1
SCHEMBL15542277 0.85 ALDH1A1 (0.51) TDP1CYP3A4SMN1; SMN2CES2RXRA
SCHEMBL477839 0.85 ALDH1A1 (0.51) TDP1CYP3A4SMN1; SMN2CES2MEN1
SCHEMBL29658347 0.85 CYP3A4 (0.68) TDP1CYP3A4SMN1; SMN2CES2MEN1
SCHEMBL16952467 0.83 ALDH1A1 (0.43) TDP1CYP3A4SMN1; SMN2CES2MEN1
SCHEMBL28798593 0.82 P2RX1 (0.43) TDP1CYP3A4SMN1; SMN2CES2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4568951-A1 HETEROCYCLIC AMIDE AND UREA COMPOUNDS AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2025-06-18 — — EP disclosed
EP-4267574-B1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS INC (US) 2025-04-23 — — EP disclosed
CN-119504445-A Gem-dinitroester energetic compound and synthesis method thereof 南京理工大学 2025-02-25 — — CN disclosed
CN-118993895-A Gem-dinitroester energetic compound and preparation method thereof 南京理工大学 2024-11-22 — — CN disclosed
US-12043632-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2024-07-23 — — US disclosed
US-20240116892-A1 HETEROCYCLIC AMIDE AND UREA COMPOUNDS AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2024-04-11 — — US disclosed
US-20240076284-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2024-03-07 — — US disclosed
WO-2024035627-A1 HETEROCYCLIC AMIDE AND UREA COMPOUNDS AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2024-02-15 — — WO disclosed
EP-3615514-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2023-11-22 — — EP disclosed
US-20230359119-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-09 — — US disclosed
WO-1997001553-A1 PIPERIDINE AND MORPHOLINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1997-01-16 — — WO disclosed
EP-0556674-B1 3,5-substituted benzoylguanidines with antiarrhythmic activity and cell proliferation inhibiting activity HOECHST AG (DE) 1996-06-19 — — EP disclosed
US-5478820-A Carbapenem deivatives; bactericides ZENECA LTD. (GB) 1995-12-26 — — US disclosed
US-5373024-A 3,5-Substituted benzoylguanidines, process for their preparation, their use as a medicament of diagnostic and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-13 — — US disclosed
EP-0579826-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1994-01-26 — — EP disclosed
CN-1079224-A Antifungal compound ZENECA LTD (GB) 1993-12-08 — — CN disclosed
EP-0556674-A1 3,5-substituted benzoylguanidines with antiarrhythmic activity and cell proliferation inhibiting activity HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-25 — — EP disclosed
WO-1993015078-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1993-08-05 — — WO disclosed
US-3995044-A Pyridine carboxylic acid amides for mycobacterium infections BAYER AKTIENGESELLSCHAFT (DT) 1976-11-30 — — US disclosed
US-3954473-A ALIPHATIC PHOSPHINE, ELECTRON ACCEPTOR POLAROID CORPORATION (US) 1976-05-04 — — 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 (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-20240116892-A1 HETEROCYCLIC AMIDE AND UREA COMPOUNDS AS JAK2 INHIBITORS JAK2, JAK1, JAK3 TP53 129/4885TDP1 3818/4885CYP3A4 4358/4885
US-12043632-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B TP53 627/4885TDP1 3813/4885CYP3A4 2677/4885
US-20240076284-A1 NEW COMPOUNDS AND METHODS ABL2, ABL1, CABLES1 TP53 208/4885TDP1 1027/4885CYP3A4 4593/4885

“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.

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