SCHEMBL4017658

SCHEMBL4017658

O=C(O)c1cc(F)cc([N+](=O)[O-])c1Br

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
TTR P02766 3/20 0.43
DTYMK P23919 1/20 0.42
GPR35 Q9HC97 1/20 0.41
TSHR P16473 1/20 0.40
CASP6 P55212 1/20 0.40
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KEAP1 Q14145 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HIF1A Q16665 1/20 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
SCHEMBL18496986 0.85 ATM (0.48) TTRGPR35ATMTDP1MAPT
SCHEMBL505189 0.83 ALDH1A1 (0.50) AKR1C2AKR1C1TTRDTYMKGPR35
SCHEMBL4013929 0.82 TTR (0.45) TTRDTYMKTSHRCASP6ATM
SCHEMBL7055312 0.82 GPR35 (0.54) AKR1C2AKR1C1DTYMKGPR35TSHR
SCHEMBL912596 0.82 TTR (0.45) TTRDTYMKTSHRCASP6ATM
SCHEMBL4017244 0.81 PDGFRB (0.44) TTRTDP1MAPTMEN1KMT2A
SCHEMBL21749958 0.81 CA1 (0.49) TTRDTYMKTSHRCASP6ATM
SCHEMBL204106 0.81 TTR (0.55) TTRDTYMKGPR35TSHRTDP1
SCHEMBL13338213 0.81 ALDH1A1 (0.56) TTRDTYMKGPR35TDP1LMNA
SCHEMBL9423000 0.81 DTYMK (0.44) AKR1C2AKR1C1TTRDTYMKGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731630-A1 HOMOPHTHALAZINONE INDOLE PARP INHIBITORS AND METHODS OF USE Valo Health, Inc. (US) 2026-04-29 EP disclosed
EP-4731631-A1 BENZAMIDAZOLE DIAZAPINONE PARP INHIBITORS AND METHODS OF USE Valo Health, Inc. (US) 2026-04-29 EP disclosed
WO-2024261712-A1 BENZAMIDAZOLE DIAZAPINONE PARP INHIBITORS AND METHODS OF USE VALO HEALTH, INC. (US) 2024-12-26 WO disclosed
WO-2024261711-A1 HOMOPHTHALAZINONE INDOLE PARP INHIBITORS AND METHODS OF USE VALO HEALTH, INC. (US) 2024-12-26 WO disclosed
US-11866412-B1 Acridin-9-one compounds as antibacterial agents King Faisal University (SA) 2024-01-09 US disclosed
CN-111868060-B Dihydropyridino phthalazinone derivatives, preparation method and application thereof 上海艾力斯医药科技股份有限公司 2023-06-09 CN disclosed
EP-3341375-B1 PROCESS FOR PREPARING PARP INHIBITOR, CRYSTALLINE FORMS, AND USES THEREOF BEIGENE LTD (KY) 2022-04-13 EP disclosed
CN-111868060-A Dihydropyridophthalazinone derivative, preparation method and application thereof 上海艾力斯医药科技股份有限公司 2020-10-30 CN disclosed
US-10457680-B2 Process for preparing a PARP inhibitor, crystalline forms, and uses thereof BEIGENE, LTD. (KY) 2019-10-29 US disclosed
WO-2019174607-A1 DIHYDROPYRIDOPHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海艾力斯医药科技有限公司 2019-09-19 WO disclosed
WO-2016012956-A1 ISOQUINOLINONE DERIVATIVES AS PARP INHIBITORS LUPIN LIMITED (IN) 2016-01-28 WO disclosed
WO-2016012956-A1 ISOQUINOLINONE DERIVATIVES AS PARP INHIBITORS LUPIN LIMITED (IN) 2016-01-28 WO disclosed
EP-2797919-A1 FUSED TETRA OR PENTA-CYCLIC PYRIDOPHTHALAZINONES AS PARP INHIBITORS BeiGene, Ltd. (KY) 2014-11-05 EP disclosed
WO-2013097226-A1 FUSED TETRA OR PENTA-CYCLIC PYRIDOPHTHALAZINONES AS PARP INHIBITORS BEIGENE, LTD. (KY) 2013-07-04 WO disclosed
CN-101616892-A The tricyclic compound that is used for the treatment of the iron imbalance XENON PHARMACEUTICALS INC 2009-12-30 CN disclosed
EP-2061755-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US disclosed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US disclosed
WO-2008109840-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-12 WO disclosed
WO-2008109840-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-12 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 (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-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS TFRC, SLC40A1, FECH AKR1C2 213/4885AKR1C1 140/4885TTR 175/4885
US-10457680-B2 Process for preparing a PARP inhibitor, crystalline forms, and uses thereof PARP1, PARP2, PARP11 AKR1C2 2012/4885AKR1C1 1852/4885TTR 4124/4885
US-11866412-B1 Acridin-9-one compounds as antibacterial agents TOP1, TOP2A, TOP2B AKR1C2 2578/4885AKR1C1 2786/4885TTR 4112/4885

“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.