SCHEMBL13383271

SCHEMBL13383271

CCCCCNc1cccc(NP)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.47
F2R P25116 2/20 0.46
KCNH3 Q9ULD8 2/20 0.45
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 3/20 0.41
EPHX1 P07099 6/20 0.40
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
ADRA2A P08913 1/20 0.39

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
SCHEMBL3662823 0.91 ABL1 (0.54) ABL1F2RKCNH3MAPTHTT
SCHEMBL22176875 0.87 ABL1 (0.53) ABL1F2RKCNH3MAPTHTT
SCHEMBL8667014 0.85 F2R (0.56) ABL1F2RKCNH3MAPTHTT
SCHEMBL10439139 0.81 ABL1 (0.54) ABL1F2RKCNH3MAPTHTT
SCHEMBL20197373 0.80 MAPT (0.71) ABL1F2RKCNH3MAPTHTT
SCHEMBL2920696 0.80 EPHX1 (0.59) ABL1MAPTALDH1A1EPHX1
SCHEMBL6231348 0.80 ABL1 (0.49) ABL1F2RKCNH3MAPTHTT
SCHEMBL5609022 0.79 MAPT (0.69) ABL1F2RKCNH3MAPTHTT
SCHEMBL15230385 0.79 MAPT (0.69) ABL1F2RKCNH3MAPTHTT
SCHEMBL4611763 0.79 ABL1 (0.47) ABL1F2RKCNH3MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372840-B2 Potassium channel blockers XENTION LIMITED (GB) 2013-02-12 US disclosed
US-20100087438-A1 New Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 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 (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 ABL1 2511/4885F2R 1291/4885KCNH3 7/4885

“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.