SCHEMBL4774013

SCHEMBL4774013

CN1C(=O)C=C(c2ccc(F)c(Cl)c2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.43
PTGS2 P35354 5/20 0.39
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
NR3C1 P04150 1/20 0.38
NR3C2 P08235 1/20 0.38
AR P10275 1/20 0.38
HTR2A P28223 1/20 0.38
GRM2 Q14416 1/20 0.38
PTGS1 P23219 2/20 0.37
KCNH2 Q12809 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TDP2 O95551 1/20 0.37
RPA1 P27694 1/20 0.36
GRIN1 Q05586 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
SCHEMBL4194142 0.85 PGR (0.39) PGRPTGS2PTGS1LMNAMAPT
SCHEMBL11000171 0.85 AHR (0.43) PGRLMNAMAPTCACNA1BAPBA1
SCHEMBL4187631 0.83 DAPK3 (0.39) PTGS2PTGS1KCNH2LMNAMAPT
SCHEMBL4185573 0.79 AKR1C3 (0.38) PTGS2KCNH2LMNAMAPTCACNA1B
SCHEMBL6003662 0.78 PGR (0.46) PGRMAPTTDP1
SCHEMBL6003729 0.76 SIGMAR1 (0.38) PGRPTGS2PTGS1LMNAMAPT
SCHEMBL19760812 0.72 HSD11B1 (0.42) MAPT
SCHEMBL1471684 0.72 KMT2A (0.44) LMNAMAPTBRD9
SCHEMBL4194511 0.71 HSD11B1 (0.45) LMNAMAPTNPSR1
SCHEMBL4190224 0.71 AKR1B1 (0.37) HTR2AGRM2MAPTTDP1TDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101272684-A Methods and compositions for the treatment of neuropathies and related disorders DOV PHARMACEUTICAL INC (US) 2008-09-24 CN disclosed
EP-1915148-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPATHIES AND RELATED DISORDERS DOV Pharmaceutical, Inc. (US) 2008-04-30 EP disclosed
US-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders LIPPA ARNOLD S 2007-04-12 US disclosed
US-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders LIPPA ARNOLD S 2007-04-12 US disclosed
US-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders LIPPA ARNOLD S 2007-04-12 US disclosed
WO-2007016155-A2 NOVEL 1-ARYL-3-AZABICYCLO[3.1.0]HEXANES: PREPARATION AND USE TO TREAT NEUROPSYCHIATRIC DISORDERS DOV PHARMACEUTICAL, INC. (US) 2007-02-08 WO disclosed
WO-2007014264-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPATHIES AND RELATED DISORDERS DOV PHARMACEUTICAL, INC. (US) 2007-02-01 WO disclosed
WO-2007014264-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPATHIES AND RELATED DISORDERS DOV PHARMACEUTICAL, INC. (US) 2007-02-01 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 (1 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-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders ACHE, LTC4S, CCR5 PGR 4332/4885PTGS2 440/4885ERCC1 2006/4885

“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.