SCHEMBL4257649

SCHEMBL4257649

O=C(O)/C=C\C1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 2/20 0.40
TP53 P04637 2/20 0.40
EGLN1 Q9GZT9 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
POLB P06746 1/20 0.38
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
UGT2B7 P16662 2/20 0.35
PADI4 Q9UM07 2/20 0.35
MEN1 O00255 1/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL38050 1.00 HTT (0.43) HTTSMN1; SMN2NPC1GAATSHR
SCHEMBL38049 1.00 HTT (0.43) HTTSMN1; SMN2NPC1GAATSHR
SCHEMBL17263955 0.97 HTT (0.47) HTTSMN1; SMN2NPC1GAATSHR
SCHEMBL1151110 0.97 HTT (0.47) HTTSMN1; SMN2NPC1GAATSHR
SCHEMBL221714 0.97 HTT (0.47) HTTSMN1; SMN2NPC1GAATSHR
SCHEMBL23749603 0.97 HTT (0.47) HTTSMN1; SMN2NPC1GAATSHR
SCHEMBL9743609 0.97 HTT (0.47) HTTSMN1; SMN2NPC1GAATSHR
SCHEMBL4599663 0.97 HTT (0.47) HTTSMN1; SMN2NPC1GAATSHR
SCHEMBL15290579 0.97 HTT (0.47) HTTSMN1; SMN2NPC1GAATSHR
SCHEMBL9063561 0.97 HTT (0.47) HTTSMN1; SMN2NPC1GAATSHR

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-20090281142-A1 THIAZOLE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-12 US disclosed
EP-1921074-A1 THIAZOLE DERIVATIVE Astellas Pharma Inc. (JP) 2008-05-14 EP 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-20090281142-A1 THIAZOLE DERIVATIVE GK, GCKR, AK2 HTT 3790/4885SMN1; SMN2 4496/4885NPC1 2628/4885

“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.