SCHEMBL1659899

SCHEMBL1659899

NCCNC(=O)c1ccccc1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.61
NPC1 O15118 2/20 0.61
HPGD P15428 2/20 0.61
HSD17B10 Q99714 2/20 0.61
NAAA Q02083 1/20 0.61
ALDH1A1 P00352 1/20 0.61
MAPT P10636 1/20 0.61
TSHR P16473 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
NLRP1 Q9C000 1/20 0.61
KDM4E B2RXH2 2/20 0.55
GAA P10253 2/20 0.55
MPO P05164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HIF1A Q16665 1/20 0.55
ALOX5 P09917 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
POLB P06746 1/20 0.54
ESRRG P62508 1/20 0.54

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
Ethylenediamine SCHEMBL1543305 0.98 HTT (0.59) HTTNPC1HPGDHSD17B10NAAA
SCHEMBL11411958 0.90 TSHR (0.59) HTTNPC1HPGDHSD17B10NAAA
SCHEMBL11407944 0.90 TSHR (0.59) HTTNPC1HPGDHSD17B10NAAA
SCHEMBL1754800 0.89 TSHR (0.67) HTTNPC1HPGDHSD17B10NAAA
SCHEMBL5707054 0.88 HTT (0.69) HTTNPC1HPGDHSD17B10NAAA
SCHEMBL3861140 0.88 TSHR (0.60) HTTNPC1HPGDMAPTTSHR
SCHEMBL31119120 0.88 HTT (0.69) HTTNPC1HPGDHSD17B10NAAA
SCHEMBL31119121 0.88 HTT (0.69) HTTNPC1HPGDHSD17B10NAAA
Hydrochloric Acid SCHEMBL15769882 0.86 HTT (0.67) HTTNPC1HPGDHSD17B10NAAA
SCHEMBL8346286 0.86 HTT (0.67) HTTNPC1HPGDHSD17B10NAAA

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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210169905-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2021-06-10 US disclosed
US-20210145852-A1 Combination Therapies for Treating Muscular Dystrophy SAREPTA THERAPEUTICS INC (US) 2021-05-20 US disclosed
US-20200254002-A1 COMBINATION THERAPIES FOR TREATING MUSCULAR DYSTROPHY SAREPTA THERAPEUTICS, INC. (US) 2020-08-13 US disclosed
US-20200248178-A1 COMBINATION THERAPIES FOR TREATING MUSCULAR DYSTROPHY SAREPTA THERAPEUTICS INC (US) 2020-08-06 US disclosed
US-20200046738-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2020-02-13 US disclosed
EP-2813486-B1 Fatty acid acetylated salicylates and their uses CATABASIS PHARMACEUTICALS INC (US) 2017-10-25 EP disclosed
EP-2315740-B1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS INC (US) 2017-10-25 EP disclosed
US-20170246193-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2017-08-31 US disclosed
US-20170246193-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2017-08-31 US disclosed
US-9708245-B2 Fatty acid acylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
US-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
US-20070141022-A1 POLYMERIC DELIVERY AGENTS AND DELIVERY AGENT COMPOUNDS EMISPHERE TECHNOLOGIES, INC. 2007-06-21 US disclosed
US-20070142305-A1 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders HO CHIH Y 2007-06-21 US disclosed
US-7208483-B2 Polymeric delivery agents and delivery agent compounds EMISPHERE TECHNOLOGIES, INC. (US) 2007-04-24 US disclosed
US-7196110-B2 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHAMACEUTICA N.V. (BE) 2007-03-27 US disclosed
EP-1675859-A1 MODULATORS OF SEROTONIN RECEPTORS Bristol-Myers Squibb Company (US) 2006-07-05 EP disclosed
WO-2005035533-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO disclosed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 US disclosed
US-5969171-A Metal complexes as bleach activators CLARIANT GMBH (DE) 1999-10-19 US disclosed
EP-0889050-A2 Metal complexes as bleach activators Clariant GmbH (DE) 1999-01-07 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 (9 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-20200046738-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 HTT 1549/4885NPC1 410/4885HPGD 510/4885
US-20070141022-A1 POLYMERIC DELIVERY AGENTS AND DELIVERY AGENT COMPOUNDS LPXN, PGF, TTPA HTT 713/4885NPC1 109/4885HPGD 583/4885
US-20070142305-A1 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA HTT 2172/4885NPC1 2394/4885HPGD 683/4885
US-20170246193-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 HTT 1549/4885NPC1 410/4885HPGD 510/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B HTT 944/4885NPC1 371/4885HPGD 2494/4885
US-20210169905-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 HTT 1549/4885NPC1 410/4885HPGD 510/4885
US-20200254002-A1 COMBINATION THERAPIES FOR TREATING MUSCULAR DYSTROPHY UTRN, MBNL1, TNNC1 HTT 1628/4885NPC1 3745/4885HPGD 1924/4885
US-20200248178-A1 COMBINATION THERAPIES FOR TREATING MUSCULAR DYSTROPHY UTRN, MBNL1, TNNC1 HTT 1628/4885NPC1 3745/4885HPGD 1924/4885
US-20210145852-A1 Combination Therapies for Treating Muscular Dystrophy UTRN, MBNL1, TNNC1 HTT 1628/4885NPC1 3745/4885HPGD 1924/4885

“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.