SCHEMBL4058596

SCHEMBL4058596

CCN(C(=O)O)c1ccc(NCc2ccc(F)cc2)nc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.56
KCNQ2 O43526 3/20 0.56
HSD17B10 Q99714 2/20 0.56
ABCB11 O95342 1/20 0.56
ESR1 P03372 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX15 P16050 1/20 0.56
NFKB1 P19838 1/20 0.56
TBXA2R P21731 1/20 0.56
MAPK1 P28482 1/20 0.56
CASP1 P29466 1/20 0.56
CYP2C19 P33261 1/20 0.56
SHMT2 P34897 1/20 0.56
PTGS2 P35354 1/20 0.56

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
SCHEMBL15004064 0.79 KCNQ3 (0.65) KCNQ3KCNQ2HSD17B10ABCB11ESR1
SCHEMBL16616629 0.78 KCNQ2 (0.57) KCNQ3KCNQ2HSD17B10ABCB11ESR1
SCHEMBL21623741 0.77 PKM (0.39) CYP1A2MAPK1CYP2C19ALDH1A1MAPT
SCHEMBL12505604 0.75 KCNQ3 (0.74) KCNQ3KCNQ2HSD17B10ABCB11ESR1
SCHEMBL7799378 0.75 MAPK1 (0.49) KCNQ3KCNQ2HSD17B10ABCB11ESR1
SCHEMBL16616466 0.74 KCNQ2 (0.46) KCNQ3KCNQ2HSD17B10ABCB11ESR1
SCHEMBL4890687 0.74 KCNQ3 (0.72) KCNQ3KCNQ2HSD17B10ABCB11ESR1
SCHEMBL16616598 0.74 KCNQ3 (0.45) KCNQ3KCNQ2HSD17B10ABCB11ESR1
Hydrochloric Acid SCHEMBL10786035 0.73 KCNQ3 (0.71) KCNQ3KCNQ2HSD17B10ABCB11ESR1
Hydrochloric Acid SCHEMBL31741641 0.73 KCNQ3 (0.71) KCNQ3KCNQ2HSD17B10ABCB11ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318507-A2 Potassium Channel Activators for the Prevention and Treatment of Dystonia and Dystonia Like Symptoms RUNDFELDT CHRIS 2009-12-24 US claimed
US-20090137641-A1 Potassium Channel Activators for the Prevention and Treatment of Dystonia and Dystonia-Like Symptoms RUNDFELDT CHRIS 2009-05-28 US claimed
EP-2012769-A1 POTASSIUM CHANNEL ACTIVATORS FOR THE PREVENTION AND TREATMENT OF DYSTONIA AND DYSTONIA-LIKE SYMPTOMS Rundfeldt, Chris (DE) 2009-01-14 EP claimed
WO-2007128462-A1 POTASSIUM CHANNEL ACTIVATORS FOR THE PREVENTION AND TREATMENT OF DYSTONIA AND DYSTONIA-LIKE SYMPTOMS RUNDFELDT CHRIS (DE) 2007-11-15 WO claimed
US-20150037318-A1 TREATMENT OF MULTIPLE SCLEROSIS WITH COMBINATION OF LAQUINIMOD AND FLUPIRTINE TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2015-02-05 US disclosed
US-20140243350-A1 USE OF SEROTONIN RECEPTOR AGONISTS FOR TREATMENT OF MOVEMENT DISORDERS CONTERA PHARMA APS (DK) 2014-08-28 US disclosed
US-20090318507-A2 Potassium Channel Activators for the Prevention and Treatment of Dystonia and Dystonia Like Symptoms RUNDFELDT CHRIS 2009-12-24 US disclosed
US-20090137641-A1 Potassium Channel Activators for the Prevention and Treatment of Dystonia and Dystonia-Like Symptoms RUNDFELDT CHRIS 2009-05-28 US disclosed
EP-2012769-A1 POTASSIUM CHANNEL ACTIVATORS FOR THE PREVENTION AND TREATMENT OF DYSTONIA AND DYSTONIA-LIKE SYMPTOMS Rundfeldt, Chris (DE) 2009-01-14 EP disclosed
WO-2007128462-A1 POTASSIUM CHANNEL ACTIVATORS FOR THE PREVENTION AND TREATMENT OF DYSTONIA AND DYSTONIA-LIKE SYMPTOMS RUNDFELDT CHRIS (DE) 2007-11-15 WO disclosed
EP-0160865-A2 2-Amino-3-ethoxycarbonylamino-6-(p-fluoro-benzylamino)-pyridine-gluconate and pharmaceutical compounds containing this product Degussa Aktiengesellschaft (DE) 1985-11-13 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 (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-20150037318-A1 TREATMENT OF MULTIPLE SCLEROSIS WITH COMBINATION OF LAQUINIMOD AND FLUPIRTINE HTR5A, LPAR5, MRGPRX1 KCNQ3 127/4885KCNQ2 82/4885HSD17B10 3079/4885

“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.