SCHEMBL18462258

SCHEMBL18462258

BCO/N=C1\c2ccccc2/C(=N/O)c2ccc(S(=O)(=O)N3CCCCCC3)cc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 4/20 0.67
▸ TSHR P16473 4/20 0.67
▸ HTT P42858 3/20 0.67
▸ RAB9A P51151 3/20 0.67
▸ KDM4E B2RXH2 2/20 0.67
▸ NPC1 O15118 2/20 0.67
▸ MAPT P10636 2/20 0.67
▸ HPGD P15428 2/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ ALDH1A1 P00352 2/20 0.67
▸ LMNA P02545 2/20 0.67
▸ TP53 P04637 1/20 0.67
▸ POLB P06746 1/20 0.67
▸ PAX8 Q06710 1/20 0.67
▸ HSD17B10 Q99714 1/20 0.67
▸ TDP1 Q9NUW8 1/20 0.67
▸ CYP2C9 P11712 1/20 0.50
▸ XBP1 P17861 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MCOLN3 Q8TDD5 2/20 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
SCHEMBL18417992 0.89 SMN1; SMN2 (0.67) NPSR1TSHRHTTRAB9AKDM4E
SCHEMBL18417989 0.89 SMN1; SMN2 (0.67) NPSR1TSHRHTTRAB9AKDM4E
SCHEMBL19627834 0.87 TSHR (0.60) NPSR1TSHRHTTRAB9AKDM4E
SCHEMBL13366900 0.84 RAB9A (0.94) NPSR1TSHRHTTRAB9AKDM4E
SCHEMBL61215 0.84 RAB9A (0.94) NPSR1TSHRHTTRAB9AKDM4E
SCHEMBL60258 0.84 RAB9A (0.94) NPSR1TSHRHTTRAB9AKDM4E
SCHEMBL13366895 0.84 RAB9A (0.94) NPSR1TSHRHTTRAB9AKDM4E
SCHEMBL13366830 0.84 RAB9A (0.94) NPSR1TSHRHTTRAB9AKDM4E
SCHEMBL18417991 0.83 TSHR (0.56) NPSR1TSHRHTTRAB9AKDM4E
SCHEMBL55962 0.82 MAPT (0.65) NPSR1TSHRHTTRAB9AKDM4E

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-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 (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-20170029450-A1 ANTHRACENE-9, 10-DIONE DIOXIME COMPOUND PRODRUGS AND THEIR USES ACR, TOP2B, TOP2A NPSR1 4260/4885TSHR 3909/4885HTT 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.

Send feedback