SCHEMBL6071101

SCHEMBL6071101

COC(=O)CC(N)(c1cc2ccccc2o1)c1ccccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.47
NPC1 O15118 6/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
NAMPT P43490 1/20 0.43
ALDH1A1 P00352 6/20 0.42
HPGD P15428 6/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
MAOB P27338 1/20 0.42
KDM4E B2RXH2 5/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
HSD17B10 Q99714 5/20 0.42
TSHR P16473 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 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
SCHEMBL6070971 0.74 MEN1 (0.44) RAB9ANPC1L3MBTL1KMT2AMEN1
SCHEMBL6070972 0.73 MAPT (0.39) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9258680 0.71 RAB9A (0.41) RAB9ANPC1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL18180635 0.71 KMT2A (0.55) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL20389614 0.71 KMT2A (0.55) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL6071237 0.71 HTR1A (0.41) L3MBTL1KMT2AMEN1HPGDMAPT
SCHEMBL27810414 0.69 GAA (0.46) NPC1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL18768462 0.67 KDM4E (0.50) RAB9ANPC1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL5163100 0.67 FLT3 (0.57) RAB9ANPC1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL9690588 0.66 SMN1; SMN2 (0.63) RAB9ANPC1L3MBTL1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-01-19 US disclosed
US-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-06-19 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 (2 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-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof CA3, GAP43, SLC1A2 RAB9A 2650/4885NPC1 2748/4885L3MBTL1 4258/4885
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof GAP43, GABRE, CA3 RAB9A 1958/4885NPC1 2435/4885L3MBTL1 3962/4885

“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.