SCHEMBL5046080

SCHEMBL5046080

CC(C)(C)CCSc1nc2ccccc2o1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.65
ADRA2C P18825 1/20 0.65
SMN1; SMN2 Q16637 5/20 0.59
KMT2A Q03164 4/20 0.59
RAB9A P51151 3/20 0.59
MAPK1 P28482 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
ALDH1A1 P00352 7/20 0.56
MEN1 O00255 3/20 0.56
MAPT P10636 2/20 0.56
HPGD P15428 4/20 0.51
TSHR P16473 3/20 0.51
HSD17B10 Q99714 2/20 0.51
GAA P10253 1/20 0.51
PKM P14618 1/20 0.50
NPC1 O15118 1/20 0.50
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL15195141 0.84 SMN1; SMN2 (0.62) DDAH1ADRA2CSMN1; SMN2KMT2ARAB9A
SCHEMBL5020552 0.82 DDAH1 (0.71) DDAH1ADRA2CSMN1; SMN2KMT2ARAB9A
SCHEMBL29751905 0.79 DDAH1 (0.67) DDAH1ADRA2CSMN1; SMN2KMT2ARAB9A
SCHEMBL423424 0.79 DDAH1 (0.67) DDAH1ADRA2CSMN1; SMN2KMT2ARAB9A
SCHEMBL10533720 0.79 DDAH1 (0.61) DDAH1ADRA2CSMN1; SMN2KMT2ARAB9A
SCHEMBL9531515 0.79 DDAH1 (0.71) DDAH1ADRA2CSMN1; SMN2KMT2ARAB9A
SCHEMBL9388714 0.79 DDAH1 (0.76) DDAH1ADRA2CSMN1; SMN2KMT2ARAB9A
SCHEMBL8409996 0.79 DDAH1 (0.71) DDAH1ADRA2CSMN1; SMN2KMT2ARAB9A
SCHEMBL3034413 0.79 DDAH1 (0.71) DDAH1ADRA2CSMN1; SMN2KMT2ARAB9A
SCHEMBL774784 0.78 DDAH1 (0.65) DDAH1ADRA2CSMN1; SMN2KMT2ARAB9A

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-8173688-B2 Thiazole compounds, and compositions and methods using same NEXMED HOLDINGS, INC. (US) 2012-05-08 US disclosed
US-20090311343-A1 Thiazole Compounds, and Compositions and Methods Using Same NEXMED HOLDINGS, INC. 2009-12-17 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-20090311343-A1 Thiazole Compounds, and Compositions and Methods Using Same RCC2, PKD1, REN DDAH1 1680/4885ADRA2C 3313/4885SMN1; SMN2 4584/4885

“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.