SCHEMBL5046084

SCHEMBL5046084

CC(C)(C)CCSc1nc2ccccc2s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.73
CYP2D6 P10635 3/20 0.73
CYP2C19 P33261 3/20 0.65
CYP3A4 P08684 2/20 0.65
CYP2C9 P11712 1/20 0.65
STAT6 P42226 1/20 0.65
HTR1A P08908 1/20 0.64
HTR2A P28223 1/20 0.64
HTR7 P34969 1/20 0.64
MAPK1 P28482 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
HIF1A Q16665 1/20 0.63
ALDH1A1 P00352 6/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
HSD17B10 Q99714 3/20 0.59
KDM4E B2RXH2 1/20 0.59
GFER P55789 1/20 0.59
HPGD P15428 3/20 0.58
POLB P06746 2/20 0.58
TSHR P16473 1/20 0.58

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
SCHEMBL21827129 0.88 CYP1A2 (0.69) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL5837665 0.85 CYP1A2 (1.00) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL18026712 0.84 CYP1A2 (0.67) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL266476 0.82 CYP1A2 (0.80) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL1129415 0.81 CYP1A2 (0.67) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL1130354 0.81 CYP1A2 (0.67) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL6141647 0.80 CYP1A2 (0.83) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL1129918 0.80 CYP1A2 (0.65) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL1129828 0.80 CYP1A2 (0.65) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL422527 0.79 CYP1A2 (0.75) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9

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 CYP1A2 2196/4885CYP2D6 1102/4885CYP2C19 1553/4885

“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.