SCHEMBL6539004

SCHEMBL6539004

COc1ccc(-c2nc(C(C)C)oc2-c2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.50
HPGD P15428 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 3/20 0.43
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.40
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37
BACE1 P56817 3/20 0.37
HEXA P06865 1/20 0.36
HEXB P07686 1/20 0.36

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
SCHEMBL6539813 0.92 RAB9A (0.49) RAB9AHPGDNPSR1NPC1TDP1
SCHEMBL6539811 0.92 RAB9A (0.49) RAB9AHPGDNPSR1NPC1TDP1
SCHEMBL6539359 0.90 RAB9A (0.61) RAB9AHPGDNPSR1NPC1TDP1
SCHEMBL6539122 0.85 RAB9A (0.49) RAB9AHPGDNPSR1NPC1TDP1
SCHEMBL6539113 0.84 RAB9A (0.48) RAB9AHPGDNPSR1NPC1TDP1
SCHEMBL6539093 0.82 PPARD (0.40) ATMKMT2A
SCHEMBL6539388 0.81 PPARD (0.38) KMT2A
SCHEMBL6538986 0.79 MEN1 (0.46) RAB9AHPGDNPSR1POLBHSD17B10
SCHEMBL6539406 0.79 PPARD (0.37) KMT2A
SCHEMBL6538960 0.77 RAB9A (0.65) RAB9AHPGDNPSR1NPC1TDP1

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 29/4885NPSR1 884/4885

“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.