SCHEMBL146979

SCHEMBL146979

CC([O])Nc1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
FFAR2 O15552 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 2/20 0.32
HDAC3 O15379 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
FDPS P14324 1/20 0.32

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
Isaxonine SCHEMBL1270289 0.79 KCNH3 (0.43) CYP2C19ALDH1A1HTTLMNAMEN1
SCHEMBL10154754 0.75 IDH1 (0.41) CYP2C19ALDH1A1HTTLMNAFFAR2
SCHEMBL1905978 0.75 CYP2C19 (0.39) CYP2C19ALDH1A1HTTLMNAFFAR2
SCHEMBL10125355 0.75 CYP2C19 (0.39) CYP2C19ALDH1A1HTTLMNAFFAR2
SCHEMBL13736558 0.75 IDH1 (0.41) CYP2C19ALDH1A1HTTLMNAFFAR2
SCHEMBL9602995 0.75 ALDH1A1 (0.39) CYP2C19ALDH1A1HTTLMNAFFAR2
SCHEMBL13127917 0.73 HTT (0.46) CYP2C19ALDH1A1HTTLMNAFFAR2
Isaxonine SCHEMBL4537710 0.73 FDPS (0.42) HTTLMNAFFAR2MEN1NPC1
SCHEMBL1225937 0.73 MEN1 (0.42) ALDH1A1HTTLMNAFFAR2MEN1
SCHEMBL1225938 0.73 MEN1 (0.42) ALDH1A1HTTLMNAFFAR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421533-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2018-10-17 EP claimed
US-20130281398-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US claimed
US-20120059002-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-03-08 US claimed
EP-2421533-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-02-29 EP claimed
WO-2010123975-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-10-28 WO claimed
EP-3431086-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2020-06-17 EP disclosed
US-20200129512-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2020-04-30 US disclosed
EP-3431086-A1 NOVEL ANTI-INFLAMMATORY AGENTS Resverlogix Corp. (CA) 2019-01-23 EP disclosed
EP-2421533-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2018-10-17 EP disclosed
US-20170333419-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2017-11-23 US disclosed
US-20170326143-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2017-11-16 US disclosed
US-9757368-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2017-09-12 US disclosed
WO-2013186612-A1 THE USE OF SUBSTITUTED 2-PHENYL-3H-QUINAZOLIN-4-ONES AND ANALOGS FOR INHIBITING BET (BROMODOMAIN AND EXTRA TERMINAL DOMAIN) PROTEINS RVX THERAPEUTICS INC. (CA) 2013-12-19 WO disclosed
US-20130281398-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US disclosed
US-20120059002-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-03-08 US disclosed
EP-2421533-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-02-29 EP disclosed
WO-2010123975-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-10-28 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 (5 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-20120059002-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CYP2C19 2399/4885ALDH1A1 1042/4885HTT 4008/4885
US-20130281398-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 CYP2C19 4874/4885ALDH1A1 3920/4885HTT 663/4885
US-20170326143-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CYP2C19 2399/4885ALDH1A1 1042/4885HTT 4008/4885
US-20170333419-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CYP2C19 2399/4885ALDH1A1 1042/4885HTT 4008/4885
US-20200129512-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CYP2C19 2399/4885ALDH1A1 1042/4885HTT 4008/4885

“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.