SCHEMBL698847

SCHEMBL698847

N#Cc1cc([N+](=O)[O-])ccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.66
ALDH1A1 P00352 5/20 0.57
LMNA P02545 3/20 0.57
GPR35 Q9HC97 2/20 0.53
TDP1 Q9NUW8 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 3/20 0.49
GRIA1 P42261 2/20 0.49
GRIA2 P42262 2/20 0.49
GRIA3 P42263 2/20 0.49
GRIA4 P48058 2/20 0.49
GRM6 O15303 1/20 0.49
CYP1A2 P05177 1/20 0.49
ALOX15 P16050 1/20 0.49
XDH P47989 1/20 0.49
TSHR P16473 2/20 0.48
HPGD P15428 2/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL82629 0.85 VCAM1 (0.66) VCAM1ALDH1A1LMNAGPR35TDP1
SCHEMBL73860 0.84 VCAM1 (0.70) VCAM1ALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL1800029 0.82 GPR35 (0.55) VCAM1ALDH1A1LMNAGPR35TDP1
Fluoride SCHEMBL28259583 0.82 VCAM1 (0.68) VCAM1ALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL9713754 0.82 MAPT (0.50) VCAM1ALDH1A1LMNAGPR35TDP1
SCHEMBL9713702 0.82 VCAM1 (0.46) VCAM1ALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL10877621 0.81 MAPT (0.53) VCAM1ALDH1A1LMNAGPR35TDP1
SCHEMBL4385438 0.81 VCAM1 (0.61) VCAM1ALDH1A1TDP1MAPTGRIA1
SCHEMBL689735 0.81 VCAM1 (0.66) VCAM1ALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL3840607 0.79 VCAM1 (0.64) VCAM1ALDH1A1LMNATDP1SMN1; 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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20250026886-A1 METHOD FOR PRODUCING POLYETHER NITRILE HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2025-01-23 US disclosed
US-20250019342-A1 METHOD FOR PRODUCING POLYETHER NITRILE HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2025-01-16 US disclosed
US-20250011540-A1 METHOD FOR PRODUCING POLYETHER NITRILE HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2025-01-09 US disclosed
US-12179173-B2 Functionalized porous organic polymers as uranium nano-traps for efficient uranium extraction UNIVERSITY OF SOUTH FLORIDA (US) 2024-12-31 US disclosed
EP-4435034-A1 METHOD FOR PRODUCING POLYETHERNITRILE Honshu Chemical Industry Co., Ltd. (JP) 2024-09-25 EP disclosed
EP-4435035-A1 METHOD FOR PRODUCING POLYETHER NITRILE Honshu Chemical Industry Co., Ltd. (JP) 2024-09-25 EP disclosed
EP-4435033-A1 PRODUCTION METHOD OF POLYETHER NITRILE Honshu Chemical Industry Co., Ltd. (JP) 2024-09-25 EP disclosed
US-20060127728-A1 Membrane-electrode assembly for fuel cell JSR CORPORATION; and 2006-06-15 US disclosed
US-7053094-B2 Compositions and methods for treating heart failure CYTOKINETICS, INC. (US) 2006-05-30 US disclosed
EP-1503986-A4 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE CYTOKINETICS INC (US) 2005-11-30 EP disclosed
US-20050148638-A1 Compositions and methods for treating heart failure CYTOKINETICS, INC. (US) 2005-07-07 US disclosed
US-6908923-B2 N-(3-oxy-5-functionalphenyl)(hetero)arylcarboxamide derivatives, e.g., 4-fluoro-N-(3-(pyridin-3-yloxy)-phenyl)-benzamide CYTOKINETICS, INC. (US) 2005-06-21 US disclosed
EP-1524288-A2 Sulfonated polymer having nitrile-containing hydrophobic block and solid polymer electrolyte JSR Corporation (JP) 2005-04-20 EP disclosed
US-20050080220-A1 Sulfonated polymer having nitrile-containing hydrophobic block and solid polymer electrolyte JSR CORPORATION (JP) 2005-04-14 US disclosed
EP-1503986-A2 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE Cytokinetics, Inc. (US) 2005-02-09 EP disclosed
US-20030158233-A1 Compositions and methods for treating heart failure CYTOKINETICS, INCORPORATED 2003-08-21 US disclosed
WO-2003059258-A2 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE CYTOKINETICS, INC. (US) 2003-07-24 WO 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-20030158233-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 VCAM1 2898/4885ALDH1A1 3435/4885LMNA 228/4885
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 3405/4885ALDH1A1 4801/4885LMNA 1522/4885
US-20050148638-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 VCAM1 2898/4885ALDH1A1 3435/4885LMNA 228/4885
US-20250019342-A1 METHOD FOR PRODUCING POLYETHER NITRILE PAH, DBH, NISCH VCAM1 4800/4885ALDH1A1 1942/4885LMNA 1939/4885

“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.