SCHEMBL6539028

SCHEMBL6539028

COc1ccc(-c2nc(SC)oc2-c2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
NPC1 O15118 2/20 0.48
ATM Q13315 1/20 0.48
RECQL P46063 1/20 0.45
HEXA P06865 2/20 0.45
HEXB P07686 2/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BACE1 P56817 4/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL6538960 0.87 RAB9A (0.65) RAB9AHPGDHSD17B10TDP1NPSR1
SCHEMBL6539359 0.84 RAB9A (0.61) RAB9AHPGDHSD17B10TDP1NPSR1
SCHEMBL6229214 0.83 RAB9A (0.60) RAB9AHPGDHSD17B10TDP1NPSR1
SCHEMBL6539666 0.83 RAB9A (0.58) RAB9AHPGDHSD17B10TDP1NPSR1
SCHEMBL6269691 0.80 PPARD (0.41) HPGDPOLBMAPTKMT2AMEN1
SCHEMBL6278582 0.79 HSD17B10 (0.43) RAB9AHPGDHSD17B10POLBNPC1
SCHEMBL6539369 0.78 ALDH1A1 (0.42) RAB9AHPGDHSD17B10TDP1NPSR1
Hydrochloric Acid SCHEMBL6539296 0.78 HSD17B10 (0.42) RAB9AHPGDHSD17B10POLBNPC1
SCHEMBL6539583 0.77 NPSR1 (0.51) RAB9AHPGDHSD17B10TDP1NPSR1
SCHEMBL6275665 0.76 PPARD (0.38) RAB9AHPGDHSD17B10POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 RAB9A 4006/4885HPGD 29/4885HSD17B10 146/4885

“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.