SCHEMBL5859249

SCHEMBL5859249

O=C(CN1CCCCC1)Nc1sc2c(c1C(=O)c1cccs1)CCOC2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.55
CNR2 P34972 9/20 0.51
CNR1 P21554 5/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RORC P51449 1/20 0.49
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ANO1 Q5XXA6 1/20 0.46

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
SCHEMBL5856637 0.89 KIF11 (0.50) KIF11CNR2CNR1MEN1KMT2A
SCHEMBL8290376 0.85 ALDH1A1 (0.65) KIF11MEN1KMT2ARORCALDH1A1
SCHEMBL5859194 0.85 ALDH1A1 (0.50) CNR2CNR1RORCALDH1A1GAA
SCHEMBL5858139 0.85 ALDH1A1 (0.50) CNR2CNR1MEN1KMT2ARORC
SCHEMBL5858104 0.85 RORC (0.51) CNR2CNR1RORCALDH1A1GAA
SCHEMBL5859317 0.84 RORC (0.53) CNR2CNR1MEN1KMT2ARORC
SCHEMBL5857713 0.84 KIF11 (0.55) KIF11CNR2CNR1MEN1KMT2A
SCHEMBL5856893 0.83 CNR2 (0.61) CNR2CNR1MEN1KMT2ARORC
SCHEMBL5856681 0.83 CNR2 (0.51) CNR2CNR1RORCALDH1A1GAA
SCHEMBL5859271 0.82 ALDH1A1 (0.51) CNR2CNR1MEN1KMT2ARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071215-B2 Anthelmintic and insecticidal compositions PHARMACIA & UPJOHN COMPANY LLC (US) 2006-07-04 US claimed
EP-1569941-A1 ANTHELMINTIC AND INSECTICIDAL THIOHENE COMPOSITIONS Pharmacia & Upjohn Company LLC (US) 2005-09-07 EP claimed
US-20040127548-A1 Novel anthelmintic and insecticidal compositions LEE BYUNG HYUN (US) 2004-07-01 US claimed
WO-2004035591-A1 ANTHELMINTIC AND INSECTICIDAL THIOHENE COMPOSITIONS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-04-29 WO claimed
US-7071215-B2 Anthelmintic and insecticidal compositions PHARMACIA & UPJOHN COMPANY LLC (US) 2006-07-04 US disclosed
US-20040127548-A1 Novel anthelmintic and insecticidal compositions LEE BYUNG HYUN (US) 2004-07-01 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-20040127548-A1 Novel anthelmintic and insecticidal compositions ACHE, BCHE, AADAC KIF11 2454/4885CNR2 1806/4885CNR1 2008/4885

“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.