SCHEMBL7109711

SCHEMBL7109711

COc1[c]cccc1-c1ncco1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
LTA4H P09960 1/20 0.36
IMPDH2 P12268 1/20 0.36
HPGDS O60760 1/20 0.34
ADRA1A P35348 4/20 0.33
ADRA1D P25100 3/20 0.33
ADRA2A P08913 2/20 0.33
ADRA1B P35368 1/20 0.33
TUBB4A P04350 5/20 0.33
TUBB P07437 5/20 0.33
TUBA3C P0DPH7 5/20 0.33
TUBA1B P68363 5/20 0.33
TUBA4A P68366 5/20 0.33
TUBB4B P68371 5/20 0.33
TUBB3 Q13509 5/20 0.33
TUBB2A Q13885 5/20 0.33
TUBB8 Q3ZCM7 5/20 0.33
TUBA3E Q6PEY2 5/20 0.33
TUBA1A Q71U36 5/20 0.33
TUBA1C Q9BQE3 5/20 0.33

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
SCHEMBL28509700 0.79 BRD4 (0.41) BRD4LTA4HIMPDH2HPGDSADRA1A
SCHEMBL7453756 0.75 CLK4 (0.40) BRD4
SCHEMBL1774614 0.73 RAB9A (0.50) BRD4LTA4HIMPDH2TUBB4ATUBB
SCHEMBL8119348 0.72 RAB9A (0.40) IMPDH2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5323132 0.72 HPGDS (0.47) BRD4LTA4HIMPDH2HPGDSADRA1A
SCHEMBL1919495 0.71 HPGDS (0.52) BRD4LTA4HIMPDH2HPGDSADRA1A
SCHEMBL5323131 0.71 BRD4 (0.40) BRD4LTA4HIMPDH2HPGDSADRA1A
SCHEMBL16686010 0.71 DYRK1A (0.47) BRD4
SCHEMBL16720197 0.70 SMN1; SMN2 (0.38)
SCHEMBL7446763 0.70 NPC1 (0.39)

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-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MCCLURE KIM F (US) 2003-01-09 US disclosed
CN-1316995-A Hydroxy 2-piperidinoate hydroxamic acid derivatives as MMP inhibitors PFIZER PROD INC (US) 2001-10-10 CN 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-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 BRD4 3548/4885LTA4H 1084/4885IMPDH2 2251/4885

“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.