SCHEMBL148034

SCHEMBL148034

COC(=O)c1ccc(C#CCCOC2CCCCO2)c(N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 4/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 3/20 0.38
HSD17B10 Q99714 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GCK P35557 1/20 0.36
CFTR P13569 1/20 0.36
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL146498 0.86 KMT2A (0.41) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL378369 0.84 KMT2A (0.41) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL20847148 0.79 PTGER4 (0.52) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL18424481 0.78 KMT2A (0.48) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL27418994 0.73 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL2980200 0.72 KMT2A (0.67) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL14966493 0.72 KMT2A (0.48) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL19504400 0.71 MEN1 (0.56) KMT2AMEN1KDM4ERAB9AMAPT
SCHEMBL15595695 0.71 MEN1 (0.54) KMT2AMEN1ALDH1A1KDM4ERAB9A
SCHEMBL29209825 0.71 KMT2A (0.48) KMT2AMEN1ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 3505/4885MEN1 1990/4885ALDH1A1 1042/4885
US-20130281398-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 KMT2A 199/4885MEN1 4236/4885ALDH1A1 3920/4885
US-20170326143-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 KMT2A 3505/4885MEN1 1990/4885ALDH1A1 1042/4885
US-20170333419-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 KMT2A 3505/4885MEN1 1990/4885ALDH1A1 1042/4885
US-20200129512-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 KMT2A 3505/4885MEN1 1990/4885ALDH1A1 1042/4885

“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.