SCHEMBL1344557

SCHEMBL1344557

CC(=O)/C=C/c1ccc(Cl)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PYGL P06737 11/20 0.60
IAPP P10997 1/20 0.59
PTGS1 P23219 1/20 0.59
PTGS2 P35354 1/20 0.56
GUSB P08236 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
GLA P06280 1/20 0.52
APP P05067 1/20 0.51
MAPT P10636 1/20 0.51
CYP1A1 P04798 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP1B1 Q16678 1/20 0.51

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
SCHEMBL1344558 1.00 PYGL (0.60) PYGLIAPPPTGS1PTGS2GUSB
SCHEMBL22209086 0.85 IAPP (0.71) IAPPPTGS1PTGS2GUSBTDP1
SCHEMBL22209087 0.85 IAPP (0.71) IAPPPTGS1PTGS2GUSBTDP1
SCHEMBL14926714 0.85 IAPP (0.56) PYGLIAPPPTGS1PTGS2TDP1
SCHEMBL5479840 0.84 IAPP (0.54) PYGLIAPPPTGS1PTGS2TDP1
SCHEMBL29373808 0.84 IAPP (0.54) PYGLIAPPPTGS1PTGS2TDP1
SCHEMBL5479835 0.84 IAPP (0.54) PYGLIAPPPTGS1PTGS2TDP1
SCHEMBL28529134 0.84 IAPP (0.54) PYGLIAPPPTGS1PTGS2TDP1
SCHEMBL1124517 0.82 PYGL (0.62) PYGLPTGS2GUSBTDP1NPC1
SCHEMBL2905065 0.82 PYGL (0.62) PYGLPTGS2GUSBTDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349554-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE COGNITION THERAPEUTICS, INC. 2017-12-07 US disclosed
US-20170349554-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE COGNITION THERAPEUTICS, INC. 2017-12-07 US disclosed
US-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 US disclosed
US-20170197977-A9 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE COGNITION THERAPEUTICS, INC. (US) 2017-07-13 US disclosed
US-20170197977-A9 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE COGNITION THERAPEUTICS, INC. (US) 2017-07-13 US disclosed
EP-2398768-B1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2016-08-24 EP disclosed
US-20140378460-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE COGNITION THERAPEUTICS, INC. (US) 2014-12-25 US disclosed
US-20140378473-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE COGNITION THERAPEUTICS, INC. (US) 2014-12-25 US disclosed
US-20140378473-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE COGNITION THERAPEUTICS, INC. (US) 2014-12-25 US disclosed
US-20140378460-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE COGNITION THERAPEUTICS, INC. (US) 2014-12-25 US disclosed
WO-1994008966-A1 QUINOLONE AND ACRIDINONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1994-04-28 WO disclosed
EP-0316790-B1 RHODANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND THEIR USE NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-08-11 EP disclosed
US-4897406-A CHEMICAL MEDIATOR INHIBITORS INCLUDING LEUKOTRIENES; ANTIALLERGENS; BRONCHODILATOR AND ANTIICHEMIC AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-01-30 US disclosed
EP-0316790-A1 Rhodanine derivatives, a process for their preparation, pharmaceutical compositions and their use NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-05-24 EP disclosed
EP-0036718-B1 7-CHLORO-3-SUBSTITUTED ARYL-3,4-DIHYDRO-1,9(2H,10H) AND 10-HYDROXY ACRIDINEDIONEIMINES, PROCESSES FOR PRODUCING THE ACRIDINEDIONEIMINES, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE ACRIDINEDIONEIMINES WARNER-LAMBERT COMPANY (US) 1985-01-02 EP disclosed
EP-0043141-B1 PHARMACEUTICAL COMPOSITIONS HAVING ANTIVIRAL ACTIVITY FOR TOPICAL ADMINISTRATION AND THE USE OF 1-(SUBSTITUTED PHENYL)-5-(4-MORPHOLINYL)-1-PENTEN-3-ONE COMPOUNDS FOR THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS HAVING AN ANTIVIRAL EFFECT MERRELL DOW PHARMACEUTICALS INC. (US) 1984-09-12 EP disclosed
US-4400380-A HERBES VIRUS; TOPICAL MERRELL DOW PHARMACEUTICALS INC. (US) 1983-08-23 US disclosed
EP-0043141-A1 Pharmaceutical compositions having antiviral activity for topical administration and the use of 1-(substituted phenyl)-5-(4-morpholinyl)-1-penten-3-one compounds for the preparation of pharmaceutical compositions having an antiviral effect MERRELL DOW PHARMACEUTICALS INC. (US) 1982-01-06 EP disclosed
EP-0036718-A2 7-Chloro-3-substituted aryl-3,4-dihydro-1,9(2H,10H) and 10-hydroxy acridinedioneimines, processes for producing the acridinedioneimines, and pharmaceutical compositions containing the acridinedioneimines WARNER-LAMBERT COMPANY (US) 1981-09-30 EP disclosed
US-4291034-A 7-Chloro-3-substituted aryl-3,4-dihydro-1,9(2H,10H) and 10 hydroxy acridinedioneimines having antimalarial activity WARNER LAMBERT COMPANY (US) 1981-09-22 US 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 (4 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-20140378460-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE TMEM97, SLC18A2, SIGMAR1 PYGL 2996/4885IAPP 505/4885PTGS1 3596/4885
US-20140378473-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE TMEM97, SLC18A2, CHRNB2 PYGL 3709/4885IAPP 550/4885PTGS1 3035/4885
US-20170349554-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE TMEM97, SLC18A2, SIGMAR1 PYGL 2996/4885IAPP 505/4885PTGS1 3596/4885
US-20170197977-A9 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE TMEM97, SLC18A2, CHRNB2 PYGL 3709/4885IAPP 550/4885PTGS1 3035/4885

“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.