SCHEMBL3363467

SCHEMBL3363467

CN(C)CNS(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KEAP1 Q14145 1/20 0.55
KDM4E B2RXH2 1/20 0.55
PKM P14618 1/20 0.55
TP53 P04637 2/20 0.51
MAPT P10636 2/20 0.51
GBA1 P04062 2/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
CYP2C19 P33261 1/20 0.49
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
BCAT1 P54687 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA1 P00915 2/20 0.47

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
SCHEMBL3143577 0.81 NPSR1 (0.70) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL10816772 0.78 CA12 (0.73) ALDH1A1LMNASMN1; SMN2KDM4EPKM
SCHEMBL12640164 0.78 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2KDM4EPKM
SCHEMBL301743 0.77 ALDH1A1 (0.67) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL8349568 0.76 ALDH1A1 (0.79) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL8851813 0.76 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL3363317 0.75 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
Hydrochloric Acid SCHEMBL7530847 0.75 ALDH1A1 (0.64) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL27276998 0.75 ALDH1A1 (0.64) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL11324198 0.74 MMP1 (0.54) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104418822-B Compound with xanthine oxidase inhibitory activity and application thereof 南京华威医药科技开发有限公司 2016-12-28 CN disclosed
CN-104418822-A Compound with xanthine oxidase inhibition activity, and use thereof NANJING HUAWE MEDICAL TECHNOLOGY DEV CO LTD 2015-03-18 CN disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20050261332-A1 Sulfonamides and uses thereof ELIXIR PHARMACEUTICALS, INC. 2005-11-24 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 (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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A ALDH1A1 2240/4885LMNA 692/4885SMN1; SMN2 862/4885
US-20050261332-A1 Sulfonamides and uses thereof GLS2, STS, ABAT ALDH1A1 471/4885LMNA 1603/4885SMN1; SMN2 22/4885

“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.