SCHEMBL18422409

SCHEMBL18422409

CC(C)(C)OP(=O)(OCON=C1c2ccc(S(=O)(=O)N3CCCCCC3)cc2C(=NOCOP(=O)(OC(C)(C)C)OC(C)(C)C)c2ccc(S(=O)(=O)N3CCCCCC3)cc21)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ HTT P42858 3/20 0.48
▸ NPSR1 Q6W5P4 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ PAX8 Q06710 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL19625572 1.00 TSHR (0.48) TSHRMAPTHTTNPSR1ALDH1A1
SCHEMBL18422583 0.95 HTT (0.57) TSHRMAPTHTTNPSR1ALDH1A1
SCHEMBL18422582 0.95 HTT (0.57) TSHRMAPTHTTNPSR1ALDH1A1
SCHEMBL18418020 0.85 NPSR1 (0.41) MAPTHTTNPSR1ALDH1A1KDM4E
SCHEMBL18422733 0.84 TSHR (0.56) TSHRMAPTHTTNPSR1ALDH1A1
SCHEMBL18422736 0.84 TSHR (0.56) TSHRMAPTHTTNPSR1ALDH1A1
SCHEMBL19625573 0.84 TSHR (0.56) TSHRMAPTHTTNPSR1ALDH1A1
SCHEMBL18418014 0.82 KDM4E (0.48) TSHRMAPTHTTNPSR1ALDH1A1
SCHEMBL18422705 0.81 TSHR (0.64) TSHRMAPTHTTNPSR1ALDH1A1
SCHEMBL18422706 0.81 TSHR (0.64) TSHRMAPTHTTNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328819-B1 ANTHRACENE-9, 10-DIONE DIOXIME COMPOUNDS PRODRUGS AND THEIR USES BETA CAT PHARMACEUTICALS INC (US) 2020-04-01 — — EP disclosed
US-9963475-B2 Anthracene-9, 10-dione dioxime compound prodrugs and their uses BETA CAT PHARMACEUTICALS, INC. (US) 2018-05-08 — — US disclosed
US-20170334936-A1 ANTHRACENE-9, 10-DIONE DIOXIME COMPOUND PRODRUGS AND THEIR USES Iterion Therapeutics, Inc. 2017-11-23 — — US disclosed
US-9725473-B2 Anthracene-9, 10-dione dioxime compound prodrugs and their uses BETA CAT PHARMACEUTICALS, INC. (US) 2017-08-08 — — US disclosed
US-20170029450-A1 ANTHRACENE-9, 10-DIONE DIOXIME COMPOUND PRODRUGS AND THEIR USES Iterion Therapeutics, Inc. 2017-02-02 — — 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-20170029450-A1 ANTHRACENE-9, 10-DIONE DIOXIME COMPOUND PRODRUGS AND THEIR USES ACR, TOP2B, TOP2A TSHR 3909/4885MAPT 4739/4885HTT 3777/4885
US-20170334936-A1 ANTHRACENE-9, 10-DIONE DIOXIME COMPOUND PRODRUGS AND THEIR USES ACR, TOP2B, TOP2A TSHR 3909/4885MAPT 4739/4885HTT 3777/4885

“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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