SCHEMBL377882

SCHEMBL377882

NC(=O)c1cc(CCN2CCOCC2)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.54
PARP1 P09874 4/20 0.44
PARP2 Q9UGN5 3/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.41
ABCC1 P33527 2/20 0.41
AOC3 Q16853 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL377927 0.87 HRH3 (0.48) SIGMAR1ALDH1A1L3MBTL3
SCHEMBL145235 0.86 PARP1 (0.49) PARP1PARP2ALDH1A1AOC3PARP3
Hydrochloric Acid SCHEMBL347360 0.85 PARP1 (0.48) PARP1PARP2ALDH1A1AOC3PARP3
SCHEMBL13162553 0.85 ALDH1A1 (0.57) SIGMAR1KDM4EALDH1A1CNR1KMT2A
SCHEMBL13634241 0.81 LMNA (0.48) SIGMAR1ALDH1A1KMT2APOLB
SCHEMBL13634242 0.79 SMN1; SMN2 (0.50) KDM4EALDH1A1
SCHEMBL13638750 0.79 KMT2A (0.56) KDM4EALDH1A1KMT2APOLBMAPT
SCHEMBL3514227 0.79 THRA (0.53) SIGMAR1KDM4EALDH1A1AOC3THRA
SCHEMBL9760982 0.78 PARP1 (0.44) SIGMAR1PARP1PARP2KDM4EALDH1A1
SCHEMBL8722296 0.78 PARP1 (0.44) SIGMAR1PARP1PARP2KDM4EALDH1A1

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 11 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-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
WO-2010106436-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-09-23 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 (7 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 SIGMAR1 3026/4885PARP1 1156/4885PARP2 2254/4885
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 SIGMAR1 2871/4885PARP1 1176/4885PARP2 2280/4885
US-10882828-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 SIGMAR1 3026/4885PARP1 1156/4885PARP2 2254/4885
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 SIGMAR1 3026/4885PARP1 1156/4885PARP2 2254/4885
US-10131640-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 SIGMAR1 3026/4885PARP1 1156/4885PARP2 2254/4885
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 SIGMAR1 2871/4885PARP1 1176/4885PARP2 2280/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 SIGMAR1 2871/4885PARP1 1176/4885PARP2 2280/4885

“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.