SCHEMBL82629

SCHEMBL82629

N#Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.66
TDP1 Q9NUW8 2/20 0.55
ALDH1A1 P00352 4/20 0.53
GPR35 Q9HC97 2/20 0.53
TSHR P16473 2/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
HIF1A Q16665 1/20 0.53
LMNA P02545 2/20 0.53
TXNRD1 Q16881 1/20 0.52
TXNRD3 Q86VQ6 1/20 0.52
TXNRD2 Q9NNW7 1/20 0.52
GRIA1 P42261 2/20 0.49
GRIA2 P42262 2/20 0.49
GRIA3 P42263 2/20 0.49
GRIA4 P48058 2/20 0.49
MAPT P10636 2/20 0.49
GRM6 O15303 1/20 0.49

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
Nornitrogen Mustard SCHEMBL8663999 0.85 VCAM1 (0.54) VCAM1TDP1ALDH1A1GPR35TSHR
SCHEMBL698847 0.85 VCAM1 (0.66) VCAM1TDP1ALDH1A1GPR35TSHR
SCHEMBL73860 0.84 VCAM1 (0.70) VCAM1TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL5079763 0.84 TDP1 (0.59) VCAM1TDP1ALDH1A1GPR35TSHR
Fluoride SCHEMBL28259583 0.82 VCAM1 (0.68) VCAM1TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL1795352 0.82 TDP1 (0.57) VCAM1TDP1ALDH1A1GPR35TSHR
SCHEMBL11477482 0.82 VCAM1 (0.68) VCAM1TDP1ALDH1A1HPGDLMNA
SCHEMBL8143514 0.81 VCAM1 (0.66) VCAM1TDP1HPGDMAPK1GRIA1
SCHEMBL5499188 0.81 TDP1 (0.55) VCAM1TDP1ALDH1A1GPR35TSHR
SCHEMBL3173442 0.79 XDH (0.60) VCAM1TDP1ALDH1A1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240115221-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION ADN METHOD FOR BACTERIAL INFECTION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-04-11 US claimed
US-20230226228-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION AND METHOD FOR DETECTION OF BACTERIAL INFECTION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-07-20 US claimed
WO-2021226076-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION AND METHOD FOR DETECTION OF BACTERIAL INFECTION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-11-11 WO claimed
CN-110713454-A Nitro-substituted indole compound and preparation method thereof 南京工业大学 2020-01-21 CN claimed
US-20190209103-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION AND METHOD FOR BACTERIAL INFECTION The Research Foundation for The State University o f New York (US) 2019-07-11 US claimed
US-7732534-B2 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2010-06-08 US claimed
US-20090253024-A1 Nitro-Compound Cathodes for Batteries and Semi-Fuel Cells NANOMATERIALS DISCOVERY CORPORATION 2009-10-08 US claimed
US-20080051552-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION 2008-02-28 US claimed
US-20080051519-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2008-02-28 US claimed
US-20260055236-A1 POLYETHER NITRILE WITH IMPROVED CRYSTALLIZATION SPEED AND METHOD FOR PRODUCING THE SAME, AND POLYETHER NITRILE RESIN COMPOSITION AND METHOD FOR PRODUCING THE SAME HONSHU CHEMICAL IND (JP) 2026-02-26 US disclosed
EP-4585635-A1 POLYETHER NITRILE WITH IMPROVED CRYSTALLIZATION SPEED, METHOD FOR PRODUCING SAME, POLYETHER NITRILE RESIN COMPOSITION, AND METHOD FOR PRODUCING SAME Honshu Chemical Industry Co., Ltd. (JP) 2025-07-16 EP disclosed
CN-119819295-A Preparation method and application method of silver catalyst 宁夏银飞医药科技有限公司 2025-04-15 CN disclosed
CN-119731238-A Polyether nitrile having improved crystallization rate and method for producing same, polyether nitrile resin composition and method for producing same 本州化学工业株式会社 2025-03-28 CN disclosed
CN-119524841-A Method for preparing nitroso aromatic hydrocarbon, N-hydroxy aromatic amine and aromatic amine from nitroaromatic hydrocarbon 嘉庚创新实验室 2025-02-28 CN disclosed
WO-1996022992-A1 TRICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS ABBOTT LABORATORIES (US) 1996-08-01 WO disclosed
US-5196549-A Dielectric films E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-03-23 US disclosed
EP-0518196-A1 Polyethers based on 9,9-BIS-perfluoroalkyl-3,6-dihydroxy-xanthene or 9-aryl-9-perfluoroalkyl-3,6-dihydroxy-xanthene E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-12-16 EP disclosed
US-5080698-A Aromatic polyethers containing cyano groups for gas separation E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-01-14 US disclosed
US-4208343-A STARTING MATERIALS FOR CYANO-IMIDE POLYMERS WESTINGHOUSE ELECTRIC CORP. (US) 1980-06-17 US disclosed
US-4067995-A ANTIALLERGENS; N,N-(CYANO-PHENYLENE)-DIOXAMIC ACID DERIVATIVES THE UPJOHN COMPANY (US) 1978-01-10 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-20260055236-A1 POLYETHER NITRILE WITH IMPROVED CRYSTALLIZATION SPEED AND METHOD FOR PRODUCING THE SAME, AND POLYETHER NITRILE RESIN COMPOSITION AND METHOD FOR PRODUCING THE SAME MNS1, RPL7, NOM1 VCAM1 3405/4885TDP1 2720/4885ALDH1A1 4801/4885
US-20190209103-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION AND METHOD FOR BACTERIAL INFECTION SLC6A19, SLC1A5, TMEM14C VCAM1 2052/4885TDP1 4584/4885ALDH1A1 3952/4885
US-20230226228-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION AND METHOD FOR DETECTION OF BACTERIAL INFECTION TLR5, SLC10A2, FNTB VCAM1 935/4885TDP1 3881/4885ALDH1A1 3223/4885
US-20240115221-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION ADN METHOD FOR BACTERIAL INFECTION SLC6A19, SLC1A5, FLNB VCAM1 1651/4885TDP1 4704/4885ALDH1A1 2596/4885

“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.