SCHEMBL18422706

SCHEMBL18422706

O=P(O)(O)OCON=C1c2ccc(S(=O)(=O)N3CCCCCC3)cc2C(=NO)c2ccc(S(=O)(=O)N3CCCCCC3)cc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.64
▸ MAPT P10636 3/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ KDM4E B2RXH2 2/20 0.64
▸ NPC1 O15118 2/20 0.64
▸ HPGD P15428 2/20 0.64
▸ HTT P42858 2/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ NPSR1 Q6W5P4 2/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ TP53 P04637 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ POLB P06746 1/20 0.64
▸ PAX8 Q06710 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ CYP2C9 P11712 1/20 0.51
▸ XBP1 P17861 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ MCOLN3 Q8TDD5 3/20 0.39

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
SCHEMBL18422705 1.00 TSHR (0.64) TSHRMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL19625573 0.96 TSHR (0.56) TSHRMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL18422736 0.96 TSHR (0.56) TSHRMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL18422733 0.96 TSHR (0.56) TSHRMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL18418015 0.89 TSHR (0.49) TSHRMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL18422583 0.87 HTT (0.57) TSHRMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL18422582 0.87 HTT (0.57) TSHRMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL18418003 0.84 NPSR1 (0.53) TSHRMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL18417995 0.84 NPSR1 (0.53) TSHRMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL18417999 0.82 KDM4E (0.50) TSHRMAPTSMN1; SMN2KDM4ENPC1

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 4739/4885SMN1; SMN2 2494/4885
US-20170334936-A1 ANTHRACENE-9, 10-DIONE DIOXIME COMPOUND PRODRUGS AND THEIR USES ACR, TOP2B, TOP2A TSHR 3909/4885MAPT 4739/4885SMN1; SMN2 2494/4885

“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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