SCHEMBL19857578

SCHEMBL19857578

Cn1nccc1C(C)(C)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.35
HTT P42858 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR2 P34972 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SLC13A5 Q86YT5 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NAMPT P43490 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2625504 0.81 COMT (0.38) COMTHTTALDH1A1KMT2AMAPT
SCHEMBL15372303 0.77 OXTR (0.36) COMTHTTCNR2CYP1A2RAB9A
SCHEMBL22071582 0.77 COMT (0.35) COMTHTTALDH1A1NPC1RAB9A
SCHEMBL6648798 0.75 ESR1 (0.41) ALDH1A1KMT2AMAPTTSHRHSD17B10
SCHEMBL16962898 0.73 OXTR (0.36) COMTHTTCYP1A2RAB9A
SCHEMBL22013542 0.72 ALDH1A1 (0.38) ALDH1A1L3MBTL1
SCHEMBL5000984 0.72 COMT (0.32) COMTKMT2AL3MBTL1SMN1; SMN2
SCHEMBL4908799 0.72 CHRM3 (0.36) HTTALDH1A1KMT2ACNR2NPC1
SCHEMBL18935615 0.71 CYP1A2 (0.36) COMTCYP1A2CYP2D6CYP2C19
SCHEMBL29700235 0.70 POLB (0.48) HTTALDH1A1MAPTNPC1CYP2C19

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-20220112159-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME UNIV QUEENSLAND (AU) 2022-04-14 US disclosed
US-20180044287-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME INFLAZOME LIMITED (IE) 2018-02-15 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-20220112159-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME NLRP3, PYCARD, IAPP COMT 4669/4885HTT 934/4885ALDH1A1 3558/4885
US-20180044287-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME NLRP3, PYCARD, IAPP COMT 4669/4885HTT 934/4885ALDH1A1 3558/4885

“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.