SCHEMBL1963799

SCHEMBL1963799

O=C1NCCN1c1cccc(NCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.43
MEF2D Q14814 2/20 0.43
MAOA P21397 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
HTR1A P08908 1/20 0.41
CYP2D6 P10635 1/20 0.41
DRD2 P14416 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR7 P34969 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
METAP2 P50579 1/20 0.40
ITGB3 P05106 1/20 0.40

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
SCHEMBL1966538 0.89 LMNA (0.42) HDAC4MEF2DCYP3A4CYP2C9CYP2C19
SCHEMBL3278560 0.79 GAA (0.57) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL12852515 0.77 HCRTR1 (0.43) CYP3A4CYP2C9CYP1A2HTR1ACYP2D6
SCHEMBL13151156 0.77 DDB1 (0.44) CYP3A4CYP2C9CYP1A2HTR1ACYP2D6
SCHEMBL475387 0.77 HDAC4 (0.61) HDAC4MEF2DCYP3A4CYP2C9CYP1A2
SCHEMBL26715279 0.75 CYP3A4 (0.38) CYP3A4CYP2C9CYP1A2HTR1ACYP2D6
SCHEMBL29508690 0.75 ALOX5 (0.67) MAOAMAOBALOX5
SCHEMBL22750386 0.75 ALOX5 (0.67) MAOAMAOBALOX5
SCHEMBL4013099 0.75 CYP2C9 (0.45) CYP3A4CYP2C9CYP1A2HTR1ACYP2D6
SCHEMBL13853418 0.75 CYP2C9 (0.45) CYP3A4CYP2C9CYP1A2HTR1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334637-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-01-04 EP disclosed
US-8372840-B2 Potassium channel blockers XENTION LIMITED (GB) 2013-02-12 US disclosed
EP-2334637-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-06-22 EP disclosed
US-20100087438-A1 New Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US disclosed
WO-2010023446-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 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-20100087438-A1 New Potassium Channel Blockers KCNJ2, KCNB1, KCNJ11 HDAC4 1272/4885MEF2D 4266/4885MAOA 3136/4885

“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.