SCHEMBL5366031

SCHEMBL5366031

O=C(Nc1nccc2cccnc12)C1(c2ccccc2)CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
ALDH1A1 P00352 2/20 0.60
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 3/20 0.47
CFTR P13569 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
ITGB1 P05556 1/20 0.45
ITGA4 P13612 1/20 0.45
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
AKR1C1 Q04828 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2861545 0.86 HTT (0.57) HTTALDH1A1LMNANPSR1HDAC4
SCHEMBL11022776 0.80 HTT (0.65) HTTALDH1A1LMNANPSR1HDAC4
SCHEMBL2857749 0.80 ALDH1A1 (0.51) HTTALDH1A1LMNANPSR1HDAC4
SCHEMBL22914434 0.77 ALDH1A1 (0.97) HTTALDH1A1LMNANPSR1HDAC4
SCHEMBL18768744 0.77 ALDH1A1 (0.97) HTTALDH1A1LMNANPSR1HDAC4
SCHEMBL2858307 0.75 P2RX7 (0.57) HTTALDH1A1LMNANPSR1HDAC4
SCHEMBL11024079 0.75 ALDH1A1 (1.00) HTTALDH1A1LMNANPSR1HDAC4
SCHEMBL13593943 0.75 HDAC1 (0.50) HTTALDH1A1LMNANPSR1HDAC4
SCHEMBL2860296 0.74 KDM4E (0.56) HTTLMNANPSR1L3MBTL1SMN1; SMN2
SCHEMBL13066481 0.72 ALDH1A1 (0.68) HTTALDH1A1LMNANPSR1HDAC4

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
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 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-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 HTT 1708/4885ALDH1A1 4075/4885LMNA 1535/4885

“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.