Sugi Predict

Sugi Predict / Compounds / SCHEMBL10154249

SCHEMBL10154249

SCHEMBL10154249

CNS(=O)(=O)c1cnn(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTR1A P08908 5/20 0.40
▸ HTR7 P34969 5/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA3 P07451 2/20 0.39
▸ CA4 P22748 2/20 0.39
▸ CA6 P23280 2/20 0.39
▸ CA5A P35218 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA13 Q8N1Q1 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ CA5B Q9Y2D0 2/20 0.39
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37

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
SCHEMBL24153208 0.82 NLRP3 (0.45) NLRP3SMN1; SMN2HTR1AHTR7HTT
SCHEMBL15882612 0.82 NLRP3 (0.48) NLRP3SMN1; SMN2HTR1AHTR7CA1
SCHEMBL24571956 0.82 NLRP3 (0.42) NLRP3HTR1AHTR7CA12CA1
SCHEMBL20034724 0.79 ALDH1A1 (0.45) NLRP3SMN1; SMN2HTR1AHTR7LMNA
SCHEMBL18709819 0.79 NLRP3 (0.46) NLRP3GAAHTR1AHTR7ALDH1A1
SCHEMBL20261061 0.78 NLRP3 (0.45) NLRP3SMN1; SMN2HTR1AHTR7CA12
SCHEMBL24310144 0.78 NLRP3 (0.48) NLRP3SMN1; SMN2HTR1AHTR7HTT
SCHEMBL1640569 0.77 KCNH2 (0.42) NLRP3SMN1; SMN2HTTALDH1A1NAMPT
SCHEMBL24465637 0.77 CA12 (0.47) NLRP3SMN1; SMN2GAAHTR1AHTR7
SCHEMBL29838853 0.77 NLRP3 (0.41) NLRP3GAAHTR1AHTR7DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022178544-A1 NOVEL HETEROCYCLIC COMPOUNDS AND RELATED METHODS OF MANUFACTURE AND USE IN HDAC INHIBITION KLOTHO THERAPEUTICS, INC. (US) 2022-08-25 — — WO claimed
WO-2022178544-A1 NOVEL HETEROCYCLIC COMPOUNDS AND RELATED METHODS OF MANUFACTURE AND USE IN HDAC INHIBITION KLOTHO THERAPEUTICS, INC. (US) 2022-08-25 — — WO disclosed
WO-2021018012-A1 IRAK4 KINASE INHIBITOR AND PREPARATION METHOD THEREFOR 珠海宇繁生物科技有限责任公司 2021-02-04 — — WO disclosed
US-20170197986-A1 DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2017-07-13 — — US disclosed
EP-2506716-B1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC (US) 2017-05-17 — — EP disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 — — US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 — — EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 — — 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA NLRP3 151/4885SMN1; SMN2 4237/4885GAA 3043/4885
US-20170197986-A1 DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR TMBIM6, HAVCR2, HDGF NLRP3 499/4885SMN1; SMN2 4825/4885GAA 1640/4885

“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.