SCHEMBL505648

SCHEMBL505648

COC(=O)c1cc(F)cc([N+](=O)[O-])c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
FGFR3 P22607 1/20 0.44
KDR P35968 1/20 0.44
KDM4E B2RXH2 5/20 0.42
POLB P06746 1/20 0.42
SIRT6 Q8N6T7 1/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 2/20 0.40
G6PD P11413 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL4017244 0.85 PDGFRB (0.44) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL2522874 0.85 PDGFRB (0.47) ALDH1A1LMNAPDGFRBFGFR1PDGFRA
SCHEMBL913705 0.84 PDGFRB (0.46) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL2046728 0.84 PDGFRB (0.49) ALDH1A1LMNAPDGFRBFGFR1PDGFRA
SCHEMBL4022732 0.84 PDGFRB (0.46) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL31159174 0.84 PDGFRB (0.49) ALDH1A1LMNAPDGFRBFGFR1PDGFRA
SCHEMBL29858635 0.83 TTR (0.50) ALDH1A1LMNAPDGFRBFGFR1PDGFRA
SCHEMBL205671 0.83 TTR (0.50) ALDH1A1LMNAPDGFRBFGFR1PDGFRA
SCHEMBL505591 0.83 PDGFRB (0.48) ALDH1A1LMNAPDGFRBFGFR1PDGFRA
SCHEMBL221958 0.83 ALDH1A1 (0.46) ALDH1A1LMNAPDGFRBFGFR1PDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025023769-A1 NOVEL SYNTHESIS METHOD OF 18F-RUCAPARIB 고려대학교 산학협력단 2025-01-30 WO disclosed
EP-3585772-B1 1, 4, 6-TRISUBSTITUTED-2-ALKYL-1H-BENZO[D]IMIDAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS MERCK PATENT GMBH (DE) 2023-10-11 EP disclosed
CN-107922430-B 2-substituted benzimidazole-4-formamide compound and preparation method and application thereof 中国科学院上海药物研究所 2020-09-04 CN disclosed
US-10196381-B2 Benzimidazole-2-piperazine heterocyclic compound, pharmaceutical composition containing the same, preparation method and use thereof SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD (CN) 2019-02-05 US disclosed
EP-3012256-B1 BENZIMIDAZOLE-2-PIPERAZINE HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD AND USE THEREOF SHANGHAI HUILUN LIFE SCIENCE & TECH CO LTD (CN) 2018-08-08 EP disclosed
US-20160159776-A1 BENZIMIDAZOLE-2-PIPERAZINE HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, PREPARATION METHOD AND USE THEREOF SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD. (CN) 2016-06-09 US disclosed
US-20160159776-A1 BENZIMIDAZOLE-2-PIPERAZINE HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, PREPARATION METHOD AND USE THEREOF SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD. (CN) 2016-06-09 US disclosed
US-20160159776-A1 BENZIMIDAZOLE-2-PIPERAZINE HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, PREPARATION METHOD AND USE THEREOF SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD. (CN) 2016-06-09 US disclosed
EP-3012256-A1 BENZIMIDAZOLE-2-PIPERAZINE HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD AND USE THEREOF Shanghai Huilun Life Science & Technology Co., Ltd (CN) 2016-04-27 EP disclosed
EP-3012256-A1 BENZIMIDAZOLE-2-PIPERAZINE HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD AND USE THEREOF Shanghai Huilun Life Science & Technology Co., Ltd (CN) 2016-04-27 EP disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
WO-2014201972-A1 BENZIMIDAZOLE-2-PIPERAZINE HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD AND USE THEREOF 上海汇伦生命科技有限公司 (CN) 2014-12-24 WO disclosed
EP-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
EP-1208104-B1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMA (US) 2005-01-19 EP disclosed
US-6548494-B1 3,4-dihydro-2H-(1,4)diazepino(6,7,1-hi)indol-1-one or 1-thione derivatives where indole C3 could also be N; use treating cancers as well as stroke, head trauma, and neurodegenerative diseases AGOURON PHARMACEUTICALS, INC. 2003-04-15 US disclosed
EP-1208104-A2 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMACEUTICALS, INC. (US) 2002-05-29 EP disclosed
WO-2001016136-A2 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMACEUTICALS, INC. (US) 2001-03-08 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-20160159776-A1 BENZIMIDAZOLE-2-PIPERAZINE HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, PREPARATION METHOD AND USE THEREOF PARP2, PARP1, PARP15 ALDH1A1 231/4885LMNA 838/4885PDGFRB 76/4885
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD ALDH1A1 95/4885LMNA 4317/4885PDGFRB 4173/4885
US-10196381-B2 Benzimidazole-2-piperazine heterocyclic compound, pharmaceutical composition containing the same, preparation method and use thereof PARP2, PARP1, PARP15 ALDH1A1 231/4885LMNA 838/4885PDGFRB 76/4885

“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.