SCHEMBL203876

SCHEMBL203876

Nc1ncc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 2/20 0.43
DYRK1A Q13627 1/20 0.41
MAPT P10636 2/20 0.39
CTSB P07858 1/20 0.39
ERN1 O75460 1/20 0.39
TDP1 Q9NUW8 4/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 2/20 0.37
ALOX15 P16050 2/20 0.37
TSHR P16473 1/20 0.37
INPPL1 O15357 1/20 0.37
PKM P14618 1/20 0.37
DHFR P00374 1/20 0.37
IDO1 P14902 1/20 0.37
AKR1B1 P15121 1/20 0.36
HPGD P15428 1/20 0.36
S100A4 P26447 1/20 0.36

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
Water SCHEMBL28740590 0.98 KMT2A (0.48) KMT2AHTTALDH1A1CYP3A4DYRK1A
SCHEMBL6830211 0.81 XDH (0.50) KMT2AHTTALDH1A1CYP3A4MAPT
SCHEMBL30467812 0.80 TDP1 (0.48) KMT2AALDH1A1CYP3A4MAPTTDP1
SCHEMBL9367583 0.80 TDP1 (0.48) KMT2AALDH1A1CYP3A4MAPTTDP1
SCHEMBL202290 0.80 ERN1 (0.41) KMT2AHTTALDH1A1CYP3A4MAPT
SCHEMBL29600703 0.80 ERN1 (0.41) KMT2AHTTALDH1A1CYP3A4MAPT
SCHEMBL6512051 0.80 ERN1 (0.41) KMT2AHTTALDH1A1CYP3A4DYRK1A
SCHEMBL5034039 0.80 MAPT (0.46) KMT2AHTTALDH1A1CYP3A4MAPT
SCHEMBL26159111 0.79 ALDH1A1 (0.39) KMT2AHTTALDH1A1CYP3A4MAPT
SCHEMBL203312 0.78 INPPL1 (0.46) KMT2AALDH1A1CYP3A4MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547713-B2 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2009-06-16 US claimed
CN-101343366-A Nano-laminal compound with regular array of pyridine and its derivant, and preparation thereof UNIV SHANGHAI (CN) 2009-01-14 CN claimed
CN-1284773-C Ortho-pyridinequinone derivative, composite containing said derivative, its preparation method and application BAIRUI GLOBAL CO LTD (VG) 2006-11-15 CN claimed
US-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2006-05-25 US claimed
EP-1569925-A1 2-SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-09-07 EP claimed
WO-2004055003-A1 2-SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-07-01 WO claimed
CN-1477099-A O-pyridinoquinone derivative, composition containing the same, preparation method and use of the same 百瑞全球有限公司 2004-02-25 CN claimed
CN-119053599-A Bicyclic compounds 安力高医药股份有限公司 2024-11-29 CN disclosed
US-12145925-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer ATLASMEDX, INC. (US) 2024-11-19 US disclosed
CN-114989164-B Substituted 1H-imidazo [4,5-b ] pyridin-2 (3H) -ones and uses thereof 詹森药业有限公司 2024-08-13 CN disclosed
US-11935803-B2 Resin composition, laminate, semiconductor wafer with resin composition layer, substrate for mounting semiconductor with resin composition layer and semiconductor device MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-03-19 US disclosed
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230338341-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-5620978-A 8-aza, 6-aza and 6,8-diaza-1,4-dihydroquinoxaline-2,3-diones and the use thereof as antagonists for the glycine/NMDA receptor STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-15 US disclosed
EP-0743855-A1 8-AZA, 6-AZA AND 6,8-DIAZA-1,4-DIHYDROQUINOXALINE-2,3-DIONES AND THE USE THEREOF AS ANTAGONISTS FOR THE GLYCINE/NMDA RECEPTOR ACEA PHARMACEUTICALS, INC. (US) 1996-11-27 EP disclosed
CN-1118781-A Heterocyclic compound with activity against diabetes and preparation and application of same MITSUTAKA CO LTD (JP) 1996-03-20 CN disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 EP disclosed
WO-1995018616-A2 8-AZA, 6-AZA AND 6,8-DIAZA-1,4-DIHYDROQUINOXALINE-2,3-DIONES AND THE USE THEREOF AS ANTAGONISTS FOR THE GLYCINE/NMDA RECEPTOR ACEA PHARM INC (US) 1995-07-13 WO disclosed
US-4087432-A HERBICIDES ELI LILLY AND COMPANY (US) 1978-05-02 US disclosed
US-3963734-A HERBICIDES, HERBICIDE INTERMEDIATES ELI LILLY AND COMPANY (US) 1976-06-15 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 (4 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-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives PTGS2, PTGES2, PTGES KMT2A 2390/4885HTT 3770/4885ALDH1A1 483/4885
US-20230382909-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 KMT2A 3870/4885HTT 652/4885ALDH1A1 543/4885
US-12145925-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer PARP2, PARP12, PARP1 KMT2A 440/4885HTT 1662/4885ALDH1A1 1089/4885
US-20230338341-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C KMT2A 1534/4885HTT 507/4885ALDH1A1 1382/4885

“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.