SCHEMBL378383

SCHEMBL378383

COC(=O)c1cc(CN2CCN(C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.65
ALDH1A1 P00352 7/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
CHKA P35790 1/20 0.50
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 4/20 0.48
PKM P14618 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HDAC6 Q9UBN7 1/20 0.45

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
Hydrochloric Acid SCHEMBL378382 0.99 SIRT6 (0.64) SIRT6ALDH1A1LMNASMN1; SMN2CHKA
SCHEMBL13634150 0.90 SIRT6 (0.55) SIRT6ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL495726 0.89 SIRT6 (0.54) SIRT6ALDH1A1LMNAMAPTMAPK1
SCHEMBL13634263 0.88 SIRT6 (0.51) SIRT6ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL2771503 0.87 SMN1; SMN2 (0.53) SIRT6ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL13161884 0.87 KDM4E (0.52) SIRT6ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL13163915 0.86 ALDH1A1 (0.61) SIRT6ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL13634261 0.86 SIRT6 (0.51) SIRT6ALDH1A1LMNAMAPTMAPK1
SCHEMBL15888503 0.85 SIRT6 (0.50) SIRT6ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL13161883 0.83 ALDH1A1 (0.50) SIRT6ALDH1A1LMNASMN1; SMN2MAPT

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 15 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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
CN-102427813-A Novel anti-inflammatory agents RESVERLOGIX CORP 2012-04-25 CN 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
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

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 106/4885ALDH1A1 587/4885LMNA 3612/4885
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 SIRT6 86/4885ALDH1A1 650/4885LMNA 3769/4885
US-10882828-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 SIRT6 106/4885ALDH1A1 587/4885LMNA 3612/4885
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 SIRT6 106/4885ALDH1A1 587/4885LMNA 3612/4885
US-10131640-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 SIRT6 106/4885ALDH1A1 587/4885LMNA 3612/4885
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 SIRT6 1744/4885ALDH1A1 1659/4885LMNA 4603/4885
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 SIRT6 86/4885ALDH1A1 650/4885LMNA 3769/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 SIRT6 86/4885ALDH1A1 650/4885LMNA 3769/4885

“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.