SCHEMBL893998

SCHEMBL893998

O=c1[nH][nH]c(=O)c2c([N+](=O)[O-])cccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
ALDH1A1 P00352 5/20 0.53
PARP1 P09874 1/20 0.51
CASP6 P55212 2/20 0.50
DUSP3 P51452 1/20 0.50
PTPN5 P54829 1/20 0.50
PTPN11 Q06124 1/20 0.50
GPR35 Q9HC97 1/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.43
S100A4 P26447 1/20 0.43
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL30012694 1.00 TDP1 (0.55) TDP1ALDH1A1PARP1CASP6DUSP3
SCHEMBL1610805 0.81 CASP6 (0.47) TDP1ALDH1A1PARP1CASP6GPR35
SCHEMBL3477342 0.81 PARP1 (0.60) TDP1ALDH1A1PARP1CASP6GPR35
SCHEMBL28027350 0.78 TDP1 (0.73) TDP1ALDH1A1PARP1GPR35MAPT
SCHEMBL11568200 0.76 GRIN2D (0.56) TDP1ALDH1A1PARP1PTPN11MAPT
SCHEMBL29765205 0.74 TDP1 (0.67) TDP1ALDH1A1PARP1GPR35MAPT
SCHEMBL10526689 0.74 TDP1 (0.74) TDP1ALDH1A1PARP1GPR35MAPT
SCHEMBL1684003 0.74 TDP1 (0.67) TDP1ALDH1A1PARP1GPR35MAPT
SCHEMBL4065593 0.74 ALDH1A1 (0.54) TDP1ALDH1A1PARP1MAPTMAPK1
SCHEMBL8927887 0.73 TDP1 (0.59) TDP1ALDH1A1PARP1CASP6GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4073266-B1 METHOD FOR CARRYING OUT AN AMPLIFICATION REACTION IN A MICROFLUIDIC APPARATUS BOSCH GMBH ROBERT (DE) 2026-05-27 EP claimed
US-20230002810-A1 Method for Carrying Out an Amplification Reaction in a Microfluidic Apparatus ROBERT BOSCH GMBH (DE) 2023-01-05 US claimed
EP-4073266-A1 METHOD FOR CARRYING OUT AN AMPLIFICATION REACTION IN A MICROFLUIDIC APPARATUS Robert Bosch GmbH (DE) 2022-10-19 EP claimed
US-11398630-B2 Method of generating energy from a hydrazide containing anode fuel, and fuel cell IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2022-07-26 US claimed
WO-2021116322-A1 METHOD FOR CARRYING OUT AN AMPLIFICATION REACTION IN A MICROFLUIDIC APPARATUS ROBERT BOSCH GMBH (DE) 2021-06-17 WO claimed
US-20210005900-A1 METHOD OF GENERATING ENERGY FROM A HYDRAZIDE CONTAINING ANODE FUEL, AND FUEL CELL IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2021-01-07 US claimed
US-9732043-B2 Process for preparing 5-amino-2,3-dihydrophthalazine-1,4-dione monosodium salt BACH PHARMA, INC. (US) 2017-08-15 US claimed
EP-2393361-B1 PHARMACEUTICAL GRADE PHTHALAZINEDIONES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BACH PHARMA INC (US) 2016-12-07 EP claimed
EP-2389364-B1 NEW METHOD FOR OBTAINING 5-AMINO-2,3-DIHYDROPHTHALAZINE-1,4-DIONE ALKALI METAL SALTS AND THEIR USE IN MEDICINE ABIDOPHARMA PL SP Z O O (PL) 2016-10-26 EP claimed
US-20160237039-A1 PHARMACEUTICAL GRADE PHTHALAZINEDIONES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Occhiuti & Rohlicek LLP 2016-08-18 US claimed
EP-2389364-A2 NEW METHOD FOR OBTAINING 5-AMINO-2,3-DIHYDROPHTHALAZINE-1,4-DIONE ALKALI METAL SALTS AND THEIR USE IN MEDICINE Abidopharma Pl SP. Z.O.O (PL) 2011-11-30 EP claimed
US-20110275642-A1 NEW METHOD FOR OBTAINING 5-AMINO 2,3-DIHYDROPHTHALAZINE-1,4-DIONE ALKALI METAL SALTS AND THEIR USE IN MEDICINE Abidopharma PL SP. Z.O.O. (PL) 2011-11-10 US claimed
US-8039605-B2 Targeting of long chain triacylglycerol hydrolase gene for tuberculosis treatment UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-10-18 US claimed
US-20100222584-A1 PHARMACEUTICAL GRADE PHTHALAZINEDIONES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BACH PHARMA, INC. (US) 2010-09-02 US claimed
WO-2010091257-A1 PHARMACEUTICAL GRADE PHTHALAZINEDIONES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BACH PHARMA, INC. (US) 2010-08-12 WO claimed
WO-2010082858-A2 NEW METHOD FOR OBTAINING 5-AMINO-2,3-DIHYDROPHTHALAZINE-1,4-DIONE ALKALI METAL SALTS AND THEIR USE IN MEDICINE ABIDOPHARMA PL SP. Z.O.O (PL) 2010-07-22 WO claimed
EP-1203587-B1 A MEDICAMENT AND METHOD FOR THE PRODUCTION THEREOF ABIDOV MUSA TAZHUDINOVICH (RU) 2010-07-14 EP claimed
US-20020198208-A1 MEDICINAL PREPARATION AND PROCESS FOR MANUFACTURING THEREOF ABIDOV, MUSA TAZHUDINOVICH (RU) 2002-12-26 US claimed
EP-1203587-A1 A MEDICAMENT AND METHOD FOR THE PRODUCTION THEREOF Abidov, Musea Tazhudinovich (RU) 2002-05-08 EP claimed
US-4207112-A STORAGE STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1980-06-10 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110275642-A1 NEW METHOD FOR OBTAINING 5-AMINO 2,3-DIHYDROPHTHALAZINE-1,4-DIONE ALKALI METAL SALTS AND THEIR USE IN MEDICINE ADH1C, SCN5A, ADH1A TDP1 1418/4885ALDH1A1 91/4885PARP1 3637/4885

“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.