SCHEMBL505189

SCHEMBL505189

Nc1c(C(=O)O)cc(F)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
KEAP1 Q14145 1/20 0.44
CYP3A4 P08684 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALOX15 P16050 1/20 0.44
TTR P02766 3/20 0.43
DTYMK P23919 1/20 0.42
TSHR P16473 1/20 0.40
CASP6 P55212 1/20 0.40
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
GPR35 Q9HC97 1/20 0.38
ATM Q13315 1/20 0.38
PDE7A Q13946 1/20 0.38

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
SCHEMBL2294398 0.86 ALDH1A1 (0.68) ALDH1A1LMNACYP3A4TDP1TTR
SCHEMBL4017658 0.83 AKR1C2 (0.44) ALDH1A1LMNAKEAP1TDP1TTR
SCHEMBL2526919 0.83 ALDH1A1 (0.46) ALDH1A1LMNAKEAP1CYP3A4TDP1
SCHEMBL4013929 0.82 TTR (0.45) ALDH1A1LMNAKEAP1CYP3A4TDP1
SCHEMBL912596 0.82 TTR (0.45) ALDH1A1LMNAKEAP1CYP3A4TDP1
SCHEMBL7784325 0.81 ALDH1A1 (0.50) ALDH1A1LMNACYP3A4TDP1ALOX15
SCHEMBL505648 0.81 ALDH1A1 (0.45) ALDH1A1LMNACYP3A4TDP1TTR
SCHEMBL21749958 0.81 CA1 (0.49) LMNAKEAP1TDP1TTRDTYMK
SCHEMBL204106 0.81 TTR (0.55) ALDH1A1LMNACYP3A4TDP1ALOX15
SCHEMBL3888136 0.81 ALDH1A1 (0.75) ALDH1A1LMNACYP3A4TDP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-104003979-B Benzimidazolyl-2 radicals-piperazine compounds, its pharmaceutical composition and its production and use 上海汇伦生命科技有限公司 2016-08-17 CN 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-2315763-B1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-06-01 EP disclosed
EP-2315763-B1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-06-01 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
CN-102143957-A Benzimidazoles and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2011-08-03 CN disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 US disclosed
EP-2315763-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-05-04 EP disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
US-5514676-A TO INHIBIT THE FORMATION OF ADVANCED GLYCOSLYATION PRODUCTS BY THE NONENZYMATIC CROSSLINKING OF PROTEINS WITH REDUCING SUGARS, USED IN FOOD PRESERVATION AND TO PREVENT PROTEIN AGING IN COLLAGEN OR LENSES IN THE EYE PRESERVATION THE ROCKEFELLER UNIVERSITY (US) 1996-05-07 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-20160159776-A1 BENZIMIDAZOLE-2-PIPERAZINE HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, PREPARATION METHOD AND USE THEREOF PARP2, PARP1, PARP15 ALDH1A1 231/4885LMNA 838/4885KEAP1 1435/4885
US-10196381-B2 Benzimidazole-2-piperazine heterocyclic compound, pharmaceutical composition containing the same, preparation method and use thereof PARP2, PARP1, PARP15 ALDH1A1 231/4885LMNA 838/4885KEAP1 1435/4885
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 ALDH1A1 639/4885LMNA 2839/4885KEAP1 360/4885

“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.