SCHEMBL2850386

SCHEMBL2850386

C=CCNC(C)(C)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
FAAH O00519 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.32
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
FGFR4 P22455 1/20 0.31

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
SCHEMBL6170683 0.80 TSHR (0.35) TSHRALDH1A1SMN1; SMN2MAPTFAAH
SCHEMBL8593888 0.80 TSHR (0.35) TSHRSMN1; SMN2MAPTFAAHKMT2A
Water SCHEMBL10920606 0.78 TSHR (0.34) TSHRALDH1A1SMN1; SMN2MAPTFAAH
SCHEMBL5954434 0.77 PKM (0.35) TSHRALDH1A1SMN1; SMN2MAPTFAAH
Hydrochloric Acid SCHEMBL10962377 0.75 PKM (0.34) TSHRALDH1A1SMN1; SMN2MAPTFAAH
SCHEMBL2297015 0.72
SCHEMBL22788816 0.70 GRM4 (0.30)
SCHEMBL22790562 0.70 MAOA (0.34)
SCHEMBL7600761 0.69 KMT2A (0.33) TSHRSMN1; SMN2MAPTFAAHKMT2A
SCHEMBL1007132 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354442-B2 Imidazol-4-one and imidazole-4-thione compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2013-01-15 US disclosed
WO-2010062686-A2 IMIDAZOL-4-ONE AND IMIDAZOLE-4-THIONE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-06-03 WO disclosed
US-20100113546-A1 Imidazol-4-one and Imidazole-4-thione Compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-05-06 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-20100113546-A1 Imidazol-4-one and Imidazole-4-thione Compounds CNR1, CNR2, HRH4 TSHR 74/4885ALDH1A1 2567/4885SMN1; SMN2 3345/4885

“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.