SCHEMBL378448

SCHEMBL378448

COC(=O)c1cc(CCN2CCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.56
HRH3 Q9Y5N1 3/20 0.51
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.46
KCNJ1 P48048 3/20 0.46
KCNH2 Q12809 3/20 0.46
ABCB1 P08183 2/20 0.45
ABCG2 Q9UNQ0 2/20 0.45
SIGMAR1 Q99720 2/20 0.43

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
SCHEMBL2771188 0.90 SIRT6 (0.53) SIRT6HTR1ADRD2HTR2AKMT2A
SCHEMBL13634150 0.88 SIRT6 (0.55) SIRT6KMT2AKDM4EALDH1A1HTT
SCHEMBL495726 0.87 SIRT6 (0.54) SIRT6KMT2AKDM4EMEN1ALDH1A1
SCHEMBL13162821 0.84 HRH3 (0.55) HRH3HTR1ADRD2HTR2AKMT2A
SCHEMBL378383 0.81 SIRT6 (0.65) SIRT6KDM4EALDH1A1HTTLMNA
SCHEMBL377916 0.80 KDM4E (0.61) HRH3KMT2AKDM4EMEN1ALDH1A1
SCHEMBL2228868 0.80 ALDH1A1 (0.58) SIRT6HRH3HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL378382 0.80 SIRT6 (0.64) SIRT6KDM4EALDH1A1HTTLMNA
SCHEMBL14904573 0.80 KCNJ1 (0.48) SIRT6HRH3ALDH1A1LMNAKCNJ1
SCHEMBL27811746 0.80 SIRT6 (0.50) SIRT6KMT2AKDM4EMEN1ALDH1A1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408454-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2024-07-24 EP disclosed
US-11407719-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2022-08-09 US disclosed
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2021-03-11 US disclosed
US-10882828-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2021-01-05 US disclosed
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2019-04-25 US disclosed
US-10131640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2018-11-20 US disclosed
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2016-05-19 US disclosed
US-9238640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2016-01-19 US disclosed
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 US disclosed
EP-2408454-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-01-25 EP disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
WO-2010106436-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-09-23 WO disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP 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 (8 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-11407719-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 SIRT6 106/4885HRH3 1620/4885HTR1A 3266/4885
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 SIRT6 86/4885HRH3 1540/4885HTR1A 3253/4885
US-10882828-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 SIRT6 106/4885HRH3 1620/4885HTR1A 3266/4885
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 SIRT6 106/4885HRH3 1620/4885HTR1A 3266/4885
US-10131640-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 SIRT6 106/4885HRH3 1620/4885HTR1A 3266/4885
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 SIRT6 1744/4885HRH3 592/4885HTR1A 3499/4885
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 SIRT6 86/4885HRH3 1540/4885HTR1A 3253/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 SIRT6 86/4885HRH3 1540/4885HTR1A 3253/4885

“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.