SCHEMBL19611410

SCHEMBL19611410

[CH2]CON=C1c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2C(=NO)c2cc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 6/20 0.55
▸ MAPT P10636 5/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ HTT P42858 4/20 0.55
▸ HPGD P15428 3/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ XBP1 P17861 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.47
▸ POLB P06746 4/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ PAX8 Q06710 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MEN1 O00255 4/20 0.43

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
SCHEMBL18418000 0.91 NPSR1 (0.56) NPSR1MAPTSMN1; SMN2KDM4EHTT
SCHEMBL18418004 0.91 NPSR1 (0.56) NPSR1MAPTSMN1; SMN2KDM4EHTT
SCHEMBL18422347 0.88 MAPT (0.58) NPSR1MAPTSMN1; SMN2KDM4EHTT
SCHEMBL18422222 0.88 MAPT (0.58) NPSR1MAPTSMN1; SMN2KDM4EHTT
Tegavivint SCHEMBL29372288 0.88 NPSR1 (0.68) NPSR1MAPTSMN1; SMN2KDM4EHTT
Tegavivint SCHEMBL14947676 0.88 NPSR1 (0.68) NPSR1MAPTSMN1; SMN2KDM4EHTT
Tegavivint SCHEMBL29489537 0.88 NPSR1 (0.68) NPSR1MAPTSMN1; SMN2KDM4EHTT
Tegavivint SCHEMBL13366899 0.88 NPSR1 (0.68) NPSR1MAPTSMN1; SMN2KDM4EHTT
SCHEMBL13366831 0.88 NPSR1 (0.68) NPSR1MAPTSMN1; SMN2KDM4EHTT
Tegavivint SCHEMBL31694538 0.88 NPSR1 (0.68) NPSR1MAPTSMN1; SMN2KDM4EHTT

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-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

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-20170334936-A1 ANTHRACENE-9, 10-DIONE DIOXIME COMPOUND PRODRUGS AND THEIR USES ACR, TOP2B, TOP2A NPSR1 4260/4885MAPT 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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