SCHEMBL1762953

SCHEMBL1762953

O=[N+]([O-])c1cc(F)cnc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 5/20 0.36
HIF1A Q16665 1/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 1/20 0.35
PKM P14618 2/20 0.35
VCAM1 P19320 1/20 0.34
PDE7A Q13946 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 2/20 0.33
AAK1 Q2M2I8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL30612243 0.80 TDP1 (0.44) TDP1ATMALDH1A1HIF1AMAPT
SCHEMBL21596680 0.80 TDP1 (0.44) TDP1ATMALDH1A1HIF1AMAPT
SCHEMBL29600703 0.80 ERN1 (0.41) ALDH1A1MAPTHTTL3MBTL1GAA
SCHEMBL202290 0.80 ERN1 (0.41) ALDH1A1MAPTHTTL3MBTL1GAA
SCHEMBL2082959 0.78 ALDH1A1 (0.50) TDP1ALDH1A1HIF1AMAPTHTT
SCHEMBL10069071 0.78 TDP1 (0.42) TDP1ATMALDH1A1HIF1AMAPT
SCHEMBL3774501 0.78 ALDH1A1 (0.43) TDP1ALDH1A1HIF1AMAPTHTT
SCHEMBL1721986 0.77 ALDH1A1 (0.35) ALDH1A1MAPTHTTCYP3A4CYP1A2
SCHEMBL7010585 0.77 HSP90AA1 (0.42) TDP1ALDH1A1HIF1AMAPTL3MBTL1
SCHEMBL126405 0.77 SMN1; SMN2 (0.54) TDP1ALDH1A1MAPTL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260105-B Aromatic heterocarbamic acid compound and preparation method and application thereof 启东东岳药业有限公司 2024-01-16 CN disclosed
US-20230124087-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
CN-115260105-A Aromatic heterocyclic carbamic acid compound and preparation method and application thereof 启东东岳药业有限公司 2022-11-01 CN disclosed
US-11369624-B2 Salts of prodrugs of piperazine and substituted piperidine antiviral agents VIIV HEALTHCARE UK (NO. 4) LIMITED 2022-06-28 US disclosed
EP-3901152-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
EP-3459953-B1 NOVEL 5H-PYRROLO[2,3-D]PYRIMIDIN-6(7H)-ONE DERIVATIVE TAIHO PHARMACEUTICAL CO LTD (JP) 2021-06-30 EP disclosed
CN-109153681-B Novel 5H-pyrrolo [2,3-d ] pyrimidin-6 (7H) -one derivatives 大鹏药品工业株式会社 2021-06-04 CN disclosed
US-20210023098-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK NO 4 LTD (GB) 2021-01-28 US disclosed
CN-106795147-B Cyclopropyl fused thiazine-2-amine compounds as beta-secretase inhibitors and methods of use 美国安进公司 2020-09-22 CN disclosed
EP-3345899-B1 BENZOFURAN-2-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2020-02-19 EP disclosed
EP-1725569-A1 PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS Bristol-Myers Squibb Company (US) 2006-11-29 EP disclosed
WO-2006071564-A2 AMINIUM SALTS OF 1,2,3-TRIAZOLES AS PRODRUGS OF DRUGS INCLUDING ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-06 WO disclosed
US-20060142298-A1 Aminium salts of 1,2,3-triazoles as prodrugs of drugs including antiviral agents VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2006-06-29 US disclosed
CN-1688311-A Compositions and antiviral activity of substituted azaindoloxoacetylpiperazine derivatives BRISTOL MYERS SQUIBB CO (US) 2005-10-26 CN disclosed
WO-2005090367-A1 PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-29 WO disclosed
US-20050209246-A1 Prodrugs of piperazine and substituted piperidine antiviral agents SALZUFER HOLDING INC., AS ADMINISTRATIVE AGENT 2005-09-22 US disclosed
EP-1549313-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES Bristol-Myers Squibb Company (US) 2005-07-06 EP disclosed
US-20050090522-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2005-04-28 US disclosed
US-20040110785-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2004-06-10 US disclosed
WO-2004014380-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-19 WO 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 (7 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-20040110785-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives ITPA, IDO1, IDO2 TDP1 2969/4885ATM 4872/4885ALDH1A1 1360/4885
US-20060142298-A1 Aminium salts of 1,2,3-triazoles as prodrugs of drugs including antiviral agents PNP, SLC29A1, NAT1 TDP1 162/4885ATM 1645/4885ALDH1A1 507/4885
US-20050209246-A1 Prodrugs of piperazine and substituted piperidine antiviral agents ZC3HAV1L, CCR5, CCRL2 TDP1 2828/4885ATM 4817/4885ALDH1A1 3078/4885
US-20230124087-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS KCNN3, KCNA4, KCNA3 TDP1 2025/4885ATM 3075/4885ALDH1A1 2760/4885
US-20210023098-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS ZC3HAV1L, CCR5, CCRL2 TDP1 2885/4885ATM 4784/4885ALDH1A1 3392/4885
US-20050090522-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives ITPA, IDO1, IDO2 TDP1 2969/4885ATM 4872/4885ALDH1A1 1360/4885
US-11369624-B2 Salts of prodrugs of piperazine and substituted piperidine antiviral agents CCR5, ZC3HAV1L, CCRL2 TDP1 2908/4885ATM 4802/4885ALDH1A1 3257/4885

“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.