SCHEMBL908697

SCHEMBL908697

Nc1ccc(-c2c(N=C=O)cc(N)c([N+](=O)[O-])c2N=C=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.31

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
SCHEMBL9408113 0.66 CYP3A4 (0.43) TDP1ALDH1A1CYP3A4MEN1POLB
SCHEMBL3700633 0.65 ALDH1A1 (0.48) TDP1ALDH1A1CYP3A4MEN1POLB
SCHEMBL8907729 0.65 ALDH1A1 (0.45) TDP1ALDH1A1CYP3A4MEN1POLB
SCHEMBL10896862 0.63 CYP3A4 (0.52) TDP1ALDH1A1CYP3A4MEN1POLB
SCHEMBL9408129 0.62 CYP3A4 (0.40) TDP1ALDH1A1CYP3A4MEN1POLB
SCHEMBL140959 0.61 CYP3A4 (0.34) TDP1ALDH1A1CYP3A4
SCHEMBL4575697 0.61 CYP3A4 (0.46) TDP1ALDH1A1CYP3A4MEN1MAPT
SCHEMBL11412128 0.61 CYP3A4 (0.48) TDP1ALDH1A1CYP3A4MEN1POLB
SCHEMBL665390 0.60 CYP3A4 (0.35) TDP1ALDH1A1CYP3A4TSHRHPGD
SCHEMBL2114609 0.60 CYP3A4 (0.43) TDP1ALDH1A1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5352527-A Having heat resistant protective layer containing amine-modified polysiloxane, polyisocyanate and reaction product between these RICOH COMPANY, LTD. (JP) 1994-10-04 US claimed
US-6384174-B1 None US disclosed
US-20240217211-A1 METAL-RESIN LAYERED BODY AND METHOD FOR MANUFACTURING METAL-RESIN LAYERED BODY RIMTEC CORPORATION (JP) 2024-07-04 US disclosed
US-12012474-B2 Composite material and molded composite material RIMTEC CORPORATION (JP) 2024-06-18 US disclosed
WO-2024122623-A1 INSULATING SHEET 日東シンコー株式会社 2024-06-13 WO disclosed
WO-2024117202-A1 POROUS BODY AND METHOD FOR PRODUCING POROUS BODY 東洋製罐グループホールディングス株式会社 2024-06-06 WO disclosed
EP-4371765-A1 ADHESIVE DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2024-05-22 EP disclosed
US-11987552-B2 Polymeric phenolic antioxidants MILLIKEN & COMPANY (US) 2024-05-21 US disclosed
WO-2024085044-A1 POLYMERIZABLE COMPOSITION AND NORBORNENE RESIN RIMTEC株式会社 2024-04-25 WO disclosed
WO-2024085043-A1 CATALYST LIQUID AND POLYMERIZABLE COMPOSITION RIMTEC株式会社 2024-04-25 WO disclosed
EP-0480089-A1 Coating compositions DAINICHISEIKA COLOR & CHEMICALS MFG. CO. LTD. (JP) 1992-04-15 EP disclosed
US-4163767-A MIXED PHOSPHITE-PHOSPHONATE POLYMER FLAME RETARDANT, INTERMEDIATES FOR THE PREPARATION OF SELF-EXTINGUISHING FLEXIBLE POLYURETHANE FOAMS STAUFFER CHEMICAL COMPANY (US) 1979-08-07 US disclosed
US-4147690-A MAGNESIUM HYDROXIDE, ALUMINA TRIHYDRATE THE BURNS & RUSSELL COMPANY OF BALTIMORE (US) 1979-04-03 US disclosed
US-4092377-A TRANSESTERIFYING A TERTIARY PHOSPHITE WITH A POLYALKYLENE GLYCOL, REARRANGEMENT BY HEAT STAUFFER CHEMICAL COMPANY (US) 1978-05-30 US disclosed
US-4064086-A SPIROLACTONES NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1977-12-20 US disclosed
US-4036789-A FLAME RETARDENT STAUFFER CHEMICAL COMPANY (US) 1977-07-19 US disclosed
US-3989652-A Polyalkylene glycol alkyl or haloalkyl polyphosphonates used as flame retardants in polyurethane foam STAUFFER CHEMICAL COMPANY (US) 1976-11-02 US disclosed
US-3986990-A FLAME RETARDANT POLYURETHANE FOAM CONTAINING POLYALKYLENE GLYCOL ALKYL POLY-PHOSPHITES STAUFFER CHEMICAL COMPANY (US) 1976-10-19 US disclosed
US-3956200-A POLYGLYCOL HYDROGEN POLYPHOSPHONATE STAUFFER CHEMICAL COMPANY (US) 1976-05-11 US disclosed
US-3933696-A Polyalkylene glycol poly-phosphorus compounds in polyurethane foams STAUFFER CHEMICAL COMPANY (US) 1976-01-20 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 (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-11987552-B2 Polymeric phenolic antioxidants COMT, GPX4, PAH TDP1 462/4885ALDH1A1 706/4885CYP3A4 581/4885

“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.