SCHEMBL18384661

SCHEMBL18384661

COc1c2ccncc2c(OC)c2oc(C(=O)N3CCOCC3)cc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CHUK O15111 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ FABP6 P51161 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ HASPIN Q8TF76 1/20 0.37
▸ MEN1 O00255 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
SCHEMBL18384648 1.00 TSHR (0.44) TSHRNPC1RAB9AL3MBTL1HPGD
SCHEMBL18384657 0.81 PDE4A (0.42) HPGDNPSR1MAPTALDH1A1
SCHEMBL18384647 0.81 PDE4A (0.47) L3MBTL1HPGDMAPTALDH1A1KMT2A
SCHEMBL18384644 0.81 PDE4A (0.42) HPGDNPSR1MAPTALDH1A1
SCHEMBL18384660 0.81 PDE4A (0.47) L3MBTL1HPGDMAPTALDH1A1KMT2A
SCHEMBL18384634 0.80 HTT (0.44) TSHRNPC1RAB9AL3MBTL1HPGD
SCHEMBL18384667 0.80 HTT (0.44) TSHRNPC1RAB9AL3MBTL1HPGD
SCHEMBL18384532 0.80 HPGD (0.48) TSHRNPC1RAB9AL3MBTL1HPGD
SCHEMBL18384595 0.80 HPGD (0.48) TSHRNPC1RAB9AL3MBTL1HPGD
SCHEMBL18384645 0.79 KDM4E (0.40) HPGDMAPTALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934309-B2 Tricyclic quinone derivative SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2021-03-02 — — US disclosed
US-20190241583-A1 NEW TRICYCLIC QUINONE DERIVATIVE SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. 2019-08-08 — — US disclosed
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 (3 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-20190241583-A1 NEW TRICYCLIC QUINONE DERIVATIVE NQO1, SQOR, SULT1E1 TSHR 2047/4885NPC1 1215/4885RAB9A 347/4885
US-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE NQO1, SQOR, SULT1E1 TSHR 2047/4885NPC1 1215/4885RAB9A 347/4885
US-10934309-B2 Tricyclic quinone derivative NQO1, NQO2, SQOR TSHR 2094/4885NPC1 1206/4885RAB9A 350/4885

“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.

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