SCHEMBL4856575

SCHEMBL4856575

O=S(=O)(O)c1ccc2ccncc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.48
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CASP6 P55212 1/20 0.46
NAMPT P43490 1/20 0.44
SNCA P37840 2/20 0.44
PRKCZ Q05513 1/20 0.43
MELK Q14680 1/20 0.42
GSK3B P49841 1/20 0.40
NT5E P21589 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
ATM Q13315 1/20 0.40
IMPDH2 P12268 2/20 0.40
IDO1 P14902 1/20 0.39
KDM4E B2RXH2 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39

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
Hydrochloric Acid SCHEMBL28750406 0.98 NAPRT (0.47) NAPRTALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL11146201 0.93 NAPRT (0.48) NAPRTALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL12567839 0.81 PIK3CD (0.45) CYP2C9NAMPTPRKCZMELKATM
SCHEMBL5217117 0.81 PRKCZ (0.43) ALDH1A1HSD17B10NAMPTPRKCZMELK
SCHEMBL8550093 0.81 LMNA (0.58) PRKCZLMNA
SCHEMBL29574227 0.80 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP2C9CYP2C19CASP6
SCHEMBL822307 0.80 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP2C9CYP2C19CASP6
SCHEMBL29381755 0.80 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP2C9CYP2C19CASP6
SCHEMBL14509008 0.79 ALDH1A1 (0.50) NAPRTALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL3822707 0.78 ALDH1A1 (0.57) ALDH1A1HSD17B10CYP2C9CYP2C19CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117907492-B High performance liquid chromatography method for simultaneously qualitatively and quantitatively detecting 5-isoquinoline sulfonic acid and six impurities thereof 山东新华制药股份有限公司 2024-05-24 CN claimed
CN-117907492-A High performance liquid chromatography method for simultaneously qualitatively and quantitatively detecting 5-isoquinoline sulfonic acid and six impurities thereof 山东新华制药股份有限公司 2024-04-19 CN claimed
CN-117907492-B High performance liquid chromatography method for simultaneously qualitatively and quantitatively detecting 5-isoquinoline sulfonic acid and six impurities thereof 山东新华制药股份有限公司 2024-05-24 CN disclosed
CN-117907492-A High performance liquid chromatography method for simultaneously qualitatively and quantitatively detecting 5-isoquinoline sulfonic acid and six impurities thereof 山东新华制药股份有限公司 2024-04-19 CN disclosed
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US disclosed
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2005-02-24 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-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists UTS2R, NTSR2, PLAUR NAPRT 487/4885ALDH1A1 2993/4885HSD17B10 4799/4885

“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.