SCHEMBL5258907

SCHEMBL5258907

Cc1cc([N+](=O)[O-])c(F)c[n+]1[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESPL1 Q14674 1/20 0.47
VCAM1 P19320 1/20 0.44
ALDH1A1 P00352 5/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 6/20 0.42
KDM4E B2RXH2 3/20 0.42
HTT P42858 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 3/20 0.37
CYP3A4 P08684 2/20 0.37
GPR35 Q9HC97 1/20 0.37
LMNA P02545 4/20 0.37

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
SCHEMBL28653326 0.81 VCAM1 (0.44) ESPL1VCAM1ALDH1A1HIF1AMAPT
SCHEMBL540381 0.81 MAPT (0.45) ALDH1A1MAPTKDM4EHTTNPSR1
SCHEMBL9455823 0.79 VCAM1 (0.44) VCAM1ALDH1A1MAPTKDM4EHTT
SCHEMBL928995 0.78 MAPT (0.46) ESPL1ALDH1A1MAPTKDM4EHTT
SCHEMBL29546613 0.78 VCAM1 (0.44) ESPL1VCAM1ALDH1A1HIF1AMAPT
SCHEMBL1338960 0.78 VCAM1 (0.44) ESPL1VCAM1ALDH1A1HIF1AMAPT
SCHEMBL2372861 0.78 VCAM1 (0.44) ESPL1VCAM1ALDH1A1HIF1AMAPT
SCHEMBL10664976 0.75 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EHTTNPSR1
SCHEMBL7035672 0.74 TSHR (0.44) VCAM1ALDH1A1MAPTKDM4EHTT
SCHEMBL5763802 0.74 GPR35 (0.46) ALDH1A1HIF1AMAPTKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3962909-B1 NOVEL OXALYL PIPERAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO KG (DE) 2023-10-04 EP disclosed
US-20220227789-A1 NOVEL INDOLIZINE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-07-21 US disclosed
US-20220227737-A1 NOVEL OXALYL PIPERAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-07-21 US disclosed
EP-3487853-B1 BICYCLIC PROLINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-06-08 EP disclosed
EP-3962913-A1 NOVEL INDOLIZINE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AiCuris GmbH & Co. KG (DE) 2022-03-09 EP disclosed
EP-3962909-A1 NOVEL OXALYL PIPERAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AiCuris GmbH & Co. KG (DE) 2022-03-09 EP disclosed
CN-109476640-B Bicyclic proline compounds 豪夫迈·罗氏有限公司 2022-02-25 CN disclosed
CN-113748113-A Novel indolizine-2-carboxamides having activity against Hepatitis B Virus (HBV) 艾库里斯有限及两合公司 2021-12-03 CN disclosed
CN-113748111-A Novel oxalyl piperazine compounds with anti-Hepatitis B Virus (HBV) activity 艾库里斯有限及两合公司 2021-12-03 CN disclosed
US-11001569-B2 6-membered heteroaromatic substituted cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-05-11 US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed
US-5580872-A ADMINISTERING IN THE TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1996-12-03 US disclosed
EP-0723545-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-07-31 EP disclosed
WO-1995010519-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1995-04-20 WO disclosed
EP-0527889-A4 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LAB (US) 1994-08-10 EP disclosed
US-5250527-A Enzyme inhibitors; administering to reduce gastric acid secretion SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1993-10-05 US disclosed
EP-0527889-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1993-02-24 EP disclosed
WO-1991016894-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1991-11-14 WO disclosed
EP-0246774-A1 Chemical compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-11-25 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-20220227789-A1 NOVEL INDOLIZINE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, BRD4 ESPL1 3147/4885VCAM1 3127/4885ALDH1A1 4364/4885
US-20220227737-A1 NOVEL OXALYL PIPERAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, ZC3HAV1, MAVS ESPL1 1820/4885VCAM1 3251/4885ALDH1A1 3573/4885
US-11001569-B2 6-membered heteroaromatic substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG ESPL1 3729/4885VCAM1 1509/4885ALDH1A1 3944/4885

“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.