SCHEMBL5351676

SCHEMBL5351676

O=C(NCCc1ccc(Cl)cc1)C1(c2ccc(Cl)cc2)CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.61
HSD11B1 P28845 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 2/20 0.54
EPHX1 P07099 2/20 0.52
ALDH1A1 P00352 3/20 0.52
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HDAC1 Q13547 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
CNR1 P21554 1/20 0.49
EPHX2 P34913 1/20 0.48
FFAR2 O15552 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL5349607 0.94 HDAC4 (0.55) HDAC4HSD11B1SMN1; SMN2HTTEPHX1
SCHEMBL5363274 0.94 HDAC4 (0.55) HDAC4HSD11B1SMN1; SMN2HTTEPHX1
SCHEMBL5350234 0.93 SMN1; SMN2 (0.64) HDAC4SMN1; SMN2HTTEPHX1ALDH1A1
SCHEMBL988644 0.89 HDAC4 (0.52) HDAC4HSD11B1SMN1; SMN2HTTEPHX1
SCHEMBL4961884 0.87 SMN1; SMN2 (0.59) HDAC4SMN1; SMN2HTTALDH1A1GAA
SCHEMBL4965067 0.87 PLAAT3 (0.57) SMN1; SMN2HTTEPHX1ALDH1A1GAA
SCHEMBL12102115 0.87 IDO1 (0.51) HDAC4SMN1; SMN2HTTEPHX1ALDH1A1
SCHEMBL989924 0.86 ALDH1A1 (0.70) HDAC4SMN1; SMN2ALDH1A1CNR1
SCHEMBL14491537 0.86 PLAAT3 (0.56) HDAC4SMN1; SMN2HTTEPHX1CYP2D6
SCHEMBL14491560 0.86 SMN1; SMN2 (0.54) HDAC4SMN1; SMN2HTTKDM4ECNR1

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 HDAC4 1442/4885HSD11B1 3987/4885SMN1; SMN2 4281/4885

“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.