SCHEMBL6539359

SCHEMBL6539359

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
HPGD P15428 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
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 2/20 0.48
ATM Q13315 1/20 0.48
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HEXA P06865 2/20 0.43
HEXB P07686 2/20 0.43
KMT2A Q03164 2/20 0.43
RECQL P46063 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BACE1 P56817 2/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL6539004 0.90 RAB9A (0.50) RAB9AHPGDTDP1NPSR1POLB
SCHEMBL6538960 0.87 RAB9A (0.65) RAB9AHPGDTDP1NPSR1POLB
SCHEMBL6539028 0.84 RAB9A (0.61) RAB9AHPGDTDP1NPSR1POLB
SCHEMBL6229214 0.83 RAB9A (0.60) RAB9AHPGDTDP1NPSR1POLB
SCHEMBL6539666 0.83 RAB9A (0.58) RAB9AHPGDTDP1NPSR1POLB
SCHEMBL6539813 0.82 RAB9A (0.49) RAB9AHPGDTDP1NPSR1POLB
SCHEMBL6539811 0.82 RAB9A (0.49) RAB9AHPGDTDP1NPSR1POLB
SCHEMBL6539669 0.80 KDM4E (0.41) HPGDPOLBKMT2AMAPT
SCHEMBL6539732 0.80 ADRA1D (0.45) RAB9AHPGDHSD17B10
SCHEMBL6539799 0.79 ALDH1A1 (0.40) RAB9AHPGDPOLBHSD17B10ATM

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 29/4885TDP1 3717/4885

“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.