SCHEMBL18384667

SCHEMBL18384667

COc1c2cccnc2c(OC)c2oc(C(=O)N3CCOCC3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 3/20 0.44
TSHR P16473 3/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 3/20 0.44
MAPT P10636 3/20 0.44
MITF O75030 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 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
SCHEMBL18384634 0.96 HTT (0.44) HTTSMN1; SMN2KDM4ETSHRLMNA
SCHEMBL18384665 0.81 PDE4A (0.47) HTTSMN1; SMN2KDM4ELMNAMAPT
SCHEMBL18384670 0.81 KDM4E (0.41) HTTSMN1; SMN2KDM4ELMNAMAPT
SCHEMBL18384611 0.80 HPGD (0.50) HTTSMN1; SMN2KDM4ETSHRLMNA
SCHEMBL18384661 0.80 TSHR (0.44) TSHRMAPTTDP1NPSR1HPGD
SCHEMBL18384648 0.80 TSHR (0.44) TSHRMAPTTDP1NPSR1HPGD
SCHEMBL18384666 0.80 KDM4E (0.44) HTTSMN1; SMN2KDM4ELMNAMAPT
SCHEMBL18384510 0.78 KDM4E (0.50) HTTSMN1; SMN2KDM4ETSHRLMNA
SCHEMBL18384678 0.78 TSHR (0.46) SMN1; SMN2KDM4ETSHRMAPTTDP1
SCHEMBL18384637 0.76 PDE4A (0.47) HTTSMN1; SMN2KDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3127907-A1 NEW TRICYCLIC QUINONE DERIVATIVE Boston Biomedical, Inc. (US) 2017-02-08 EP disclosed
EP-3127907-A1 NEW TRICYCLIC QUINONE DERIVATIVE Boston Biomedical, Inc. (US) 2017-02-08 EP disclosed
US-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE BOSTON BIOMEDICAL, INC. (US) 2017-01-19 US disclosed
US-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE BOSTON BIOMEDICAL, INC. (US) 2017-01-19 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 (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-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE NQO1, SQOR, SULT1E1 HTT 1242/4885SMN1; SMN2 3746/4885KDM4E 2727/4885

“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.