SCHEMBL16361069

SCHEMBL16361069

O=S(=O)(O)c1cccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 7/20 0.50
▸ NR1H3 Q13133 7/20 0.50
▸ IKBKB O14920 1/20 0.45
▸ CHUK O15111 1/20 0.45
▸ TOP2A P11388 3/20 0.43
▸ RXRA P19793 1/20 0.43
▸ CKS1B P61024 5/20 0.42
▸ SKP2 Q13309 5/20 0.42
▸ GLO1 Q04760 3/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL15863137 0.96 NR1H2 (0.53) NR1H2NR1H3IKBKBCHUKTOP2A
SCHEMBL20725221 0.93 NR1H2 (0.49) NR1H2NR1H3IKBKBCHUKTOP2A
SCHEMBL17773852 0.90 NR1H2 (0.49) NR1H2NR1H3IKBKBCHUKTOP2A
SCHEMBL17773849 0.88 NR1H2 (0.50) NR1H2NR1H3IKBKBCHUKTOP2A
SCHEMBL12131292 0.87 TOP2A (0.46) IKBKBCHUKTOP2ACKS1BSKP2
Sulfuric Acid SCHEMBL11349184 0.85 TOP2A (0.51) NR1H2NR1H3IKBKBCHUKTOP2A
SCHEMBL9806108 0.82 TOP2A (0.49) NR1H2NR1H3IKBKBCHUKTOP2A
SCHEMBL24514813 0.82 IKBKB (0.47) NR1H2NR1H3IKBKBCHUKTOP2A
SCHEMBL338486 0.81 LMNA (0.46) IKBKBCHUKTOP2AGLO1TSHR
SCHEMBL23607786 0.80 TOP2A (0.47) NR1H2NR1H3IKBKBCHUKTOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10203333-B2 Electronically neutral metal complexes as biological labels RUBIPY SCIENTIFIC, INC. (CA) 2019-02-12 — — US disclosed
US-20160146826-A1 Electronically Neutral Metal Complexes As Biological Labels HUNAN SANSURE ACCUCISE BIOTECHNOLOGY CO., LTD. (CN) 2016-05-26 — — US disclosed
WO-2014203067-A1 ELECTRONICALLY NEUTRAL METAL COMPLEXES AS BIOLOGICAL LABELS RUBIPY SCIENTIFIC, INC. (CA) 2014-12-24 — — WO 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-10203333-B2 Electronically neutral metal complexes as biological labels MB, MCU, LETM1 NR1H2 4880/4885NR1H3 4883/4885IKBKB 3218/4885
US-20160146826-A1 Electronically Neutral Metal Complexes As Biological Labels MB, MCU, LETM1 NR1H2 4880/4885NR1H3 4883/4885IKBKB 3218/4885

“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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