SCHEMBL4283608

SCHEMBL4283608

CC(C)(C)c1cc(N2CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)cc(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 1/20 0.51
HTT P42858 4/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 2/20 0.46
HSP90AA1 P07900 2/20 0.45
HSP90AB1 P08238 1/20 0.45
P2RX7 Q99572 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL4274664 0.83 HSP90AA1 (0.59) KMT2AMEN1SMN1; SMN2POLBHTT
SCHEMBL12791531 0.79 HSP90AA1 (0.62) KMT2AMEN1SMN1; SMN2POLBHTT
SCHEMBL4273972 0.79 MLYCD (0.61) KMT2AMEN1SMN1; SMN2POLBHTT
SCHEMBL4274583 0.79 MEN1 (0.56) KMT2AMEN1SMN1; SMN2POLBHTT
SCHEMBL2924217 0.79 MEN1 (0.52) KMT2AMEN1SMN1; SMN2POLBALDH1A1
SCHEMBL424111 0.78 HPGD (0.54) KMT2AMEN1SMN1; SMN2POLBHTT
SCHEMBL4273078 0.77 LMNA (0.60) KMT2AMEN1SMN1; SMN2POLBHTT
SCHEMBL4276349 0.76 SMN1; SMN2 (0.58) KMT2AMEN1SMN1; SMN2HTTALDH1A1
SCHEMBL4279408 0.76 ALDH1A1 (0.59) KMT2AMEN1SMN1; SMN2POLBHTT
SCHEMBL12252222 0.74 KMT2A (0.56) KMT2AMEN1SMN1; SMN2HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270413-A1 DI-T-BUTYLPHENYL PIPERAZINES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
US-20090270413-A1 DI-T-BUTYLPHENYL PIPERAZINES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
US-20090270413-A1 DI-T-BUTYLPHENYL PIPERAZINES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 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-20090270413-A1 DI-T-BUTYLPHENYL PIPERAZINES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1C, CACNA1I KMT2A 3934/4885MEN1 3335/4885SMN1; SMN2 2531/4885

“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.