SCHEMBL6539113

SCHEMBL6539113

COc1ccc(-c2nc(C3CC3)oc2-c2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.48
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BACE1 P56817 10/20 0.41
ATM Q13315 1/20 0.39
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL6539666 0.90 RAB9A (0.58) RAB9AHPGDNPSR1NPC1TDP1
SCHEMBL6539004 0.84 RAB9A (0.50) RAB9AHPGDNPSR1NPC1TDP1
SCHEMBL6539122 0.83 RAB9A (0.49) RAB9AHPGDNPSR1NPC1TDP1
SCHEMBL6539813 0.83 RAB9A (0.49) RAB9AHPGDNPSR1NPC1TDP1
SCHEMBL6539811 0.83 RAB9A (0.49) RAB9AHPGDNPSR1NPC1TDP1
SCHEMBL6539329 0.82 PPARD (0.41) ATM
SCHEMBL6538764 0.81 PPARD (0.39) POLBATMKMT2A
SCHEMBL6539086 0.81 MEN1 (0.45) HPGDNPSR1POLBHSD17B10KMT2A
SCHEMBL6539490 0.79 PPARD (0.38) RAB9ANPC1POLB
SCHEMBL6540113 0.78 TP53 (0.39) RAB9ANPC1POLBKMT2A

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.