SCHEMBL19627834

SCHEMBL19627834

BCO/N=C1/C(C=C)=C(C=C)/C(=N\O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.60
▸ MAPT P10636 3/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ HPGD P15428 2/20 0.60
▸ HTT P42858 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ TP53 P04637 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ PAX8 Q06710 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ CYP2C9 P11712 1/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ CASP3 P42574 3/20 0.38

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
SCHEMBL19627483 0.94 MAPT (0.53) TSHRMAPTRAB9AALDH1A1KDM4E
SCHEMBL18462258 0.87 NPSR1 (0.67) TSHRMAPTRAB9AALDH1A1KDM4E
SCHEMBL60258 0.79 RAB9A (0.94) TSHRMAPTRAB9AALDH1A1KDM4E
SCHEMBL13366830 0.79 RAB9A (0.94) TSHRMAPTRAB9AALDH1A1KDM4E
SCHEMBL61215 0.79 RAB9A (0.94) TSHRMAPTRAB9AALDH1A1KDM4E
SCHEMBL13366895 0.79 RAB9A (0.94) TSHRMAPTRAB9AALDH1A1KDM4E
SCHEMBL13366900 0.79 RAB9A (0.94) TSHRMAPTRAB9AALDH1A1KDM4E
SCHEMBL18417992 0.76 SMN1; SMN2 (0.67) TSHRMAPTRAB9AALDH1A1KDM4E
SCHEMBL18417989 0.76 SMN1; SMN2 (0.67) TSHRMAPTRAB9AALDH1A1KDM4E
SCHEMBL29675943 0.76 MAPT (1.00) TSHRMAPTRAB9AALDH1A1KDM4E

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 TSHR 3909/4885MAPT 4739/4885RAB9A 905/4885

“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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