SCHEMBL16361005

SCHEMBL16361005

O=S(=O)(O)c1cnc2c(ccc3cc(S(=O)(=O)O)cnc32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.45
▸ TDP1 Q9NUW8 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CCR1 P32246 2/20 0.43
▸ CCR5 P51681 2/20 0.43
▸ CCR8 P51685 2/20 0.43
▸ CASP6 P55212 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NT5E P21589 3/20 0.40
▸ SNCA P37840 2/20 0.40
▸ NAPRT Q6XQN6 1/20 0.39
▸ TSHR P16473 3/20 0.38
▸ HTR2A P28223 2/20 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
SCHEMBL17773847 0.89 CCR1 (0.63) KDM4EALDH1A1TDP1SMN1; SMN2LMNA
SCHEMBL16361067 0.88 KDM4E (0.63) KDM4EALDH1A1TDP1SMN1; SMN2LMNA
SCHEMBL28627428 0.79 KDM4E (0.39) KDM4EALDH1A1TDP1SMN1; SMN2LMNA
SCHEMBL10296114 0.75 MGAM (0.51) KDM4EALDH1A1SMN1; SMN2LMNAHTT
Hydrochloric Acid SCHEMBL27809967 0.73 MGAM (0.50) KDM4EALDH1A1SMN1; SMN2LMNAHTT
Hydrochloric Acid SCHEMBL27809988 0.73 MGAM (0.50) KDM4EALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL305423 0.72 SNCA (0.62) KDM4EALDH1A1TDP1SMN1; SMN2LMNA
SCHEMBL300937 0.72 SNCA (0.62) KDM4EALDH1A1TDP1SMN1; SMN2LMNA
SCHEMBL30233294 0.72 SNCA (0.62) KDM4EALDH1A1TDP1SMN1; SMN2LMNA
SCHEMBL4625952 0.72 SNCA (0.51) KDM4EALDH1A1TDP1SMN1; SMN2LMNA

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-10203333-B2 Electronically neutral metal complexes as biological labels RUBIPY SCIENTIFIC, INC. (CA) 2019-02-12 — — 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 (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-10203333-B2 Electronically neutral metal complexes as biological labels MB, MCU, LETM1 KDM4E 2185/4885ALDH1A1 1628/4885TDP1 3505/4885

“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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