SCHEMBL6603904

SCHEMBL6603904

CCCC(=O)c1c(F)cccc1NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.59
GRM2 Q14416 1/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
HIF1A Q16665 1/20 0.41
PLK3 Q9H4B4 1/20 0.40
F2 P00734 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40

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
SCHEMBL12427631 0.83 PLK1 (0.67) PLK1HDAC8HDAC1HDAC6HSD17B10
SCHEMBL28639673 0.80 PLK1 (0.54) PLK1HDAC8HDAC1HDAC6HSD17B10
SCHEMBL6601459 0.77 CES2 (0.52) NPC1RAB9AL3MBTL1SMN1; SMN2TDP1
SCHEMBL1715550 0.72 PLK1 (0.62) PLK1HSD17B10L3MBTL1SMN1; SMN2POLB
SCHEMBL12074306 0.72 HSD17B10 (0.47) PLK1GRM2HDAC8HDAC1HDAC6
SCHEMBL4982611 0.72 HSD17B10 (0.59) HDAC8HDAC1HDAC6HSD17B10NPC1
SCHEMBL14454140 0.71 CES2 (0.45) L3MBTL1SMN1; SMN2TDP1ALDH1A1HPGD
SCHEMBL16856424 0.71 HSD17B10 (0.50) PLK1HDAC8HDAC1HDAC6HSD17B10
SCHEMBL14454259 0.71 CES2 (0.45) RAB9AL3MBTL1SMN1; SMN2TDP1ALDH1A1
Butyric Acid SCHEMBL29049202 0.71 POLB (0.53) GRM2HDAC8HDAC1HDAC6HSD17B10

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-20040204417-A1 Novel benzothienyl or indole derivatives, preparation and use thereof as inhibitors of prenyl transferase proteins PIERRE FABRE MEDICAMENT (FR) 2004-10-14 US disclosed
EP-1395581-A2 NOVEL BENZOTHIENYL OR INDOLE DERIVATIVES, PREPARATION AND USE THEREOF AS INHIBITORS OF PRENYL TRANSFERASE PROTEINS PIERRE FABRE MEDICAMENT (FR) 2004-03-10 EP disclosed
WO-2002098852-A2 NOVEL BENZOTHIENYL OR INDOLE DERIVATIVES, AND USE THEREOF AS INHIBITORS OF PRENYL TRANSFERASE PROTEINS PIERRE FABRE MEDICAMENT (FR) 2002-12-12 WO 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-20040204417-A1 Novel benzothienyl or indole derivatives, preparation and use thereof as inhibitors of prenyl transferase proteins CBR1, CBR3, HCCS PLK1 3835/4885GRM2 2937/4885HDAC8 1089/4885

“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.