SCHEMBL6204554

SCHEMBL6204554

CCOC(=O)c1c(NC(=O)CN2CCCCC2)sc2c1CCC(c1ccccc1)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
TSHR P16473 3/20 0.61
HPGD P15428 2/20 0.61
TP53 P04637 2/20 0.61
MAPT P10636 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
HSD17B10 Q99714 4/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
LMNA P02545 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HTT P42858 2/20 0.54
CYBB P04839 1/20 0.53
NOX4 Q9NPH5 1/20 0.53
PDE4D Q08499 1/20 0.53
CNR2 P34972 1/20 0.51
TLR2 O60603 1/20 0.51

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
SCHEMBL6203018 0.86 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL6201333 0.82 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL6200055 0.80 ALDH1A1 (0.82) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL6203815 0.80 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL6202090 0.80 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL6203156 0.80 ALDH1A1 (0.82) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL6204125 0.80 LMNA (0.70) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL6203540 0.79 ALDH1A1 (0.80) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL6205044 0.79 ALDH1A1 (0.84) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL6203802 0.79 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR

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
EP-1509514-A1 ANTHELMINTIC AND INSECTICIDAL THIOPHENE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2005-03-02 EP claimed
US-20040014740-A1 Novel anthelmintic and insecticidal compositions PHARMACIA & UPJOHN COMPANY 2004-01-22 US claimed
WO-2003101979-A1 ANTHELMINTIC AND INSECTICIDAL THIOPHENE DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2003-12-11 WO claimed
EP-1509514-A1 ANTHELMINTIC AND INSECTICIDAL THIOPHENE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2005-03-02 EP disclosed
US-20040014740-A1 Novel anthelmintic and insecticidal compositions PHARMACIA & UPJOHN COMPANY 2004-01-22 US disclosed
WO-2003101979-A1 ANTHELMINTIC AND INSECTICIDAL THIOPHENE DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2003-12-11 WO 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-20040014740-A1 Novel anthelmintic and insecticidal compositions ACHE, BCHE, AADAC ALDH1A1 2781/4885SMN1; SMN2 3997/4885MEN1 4773/4885

“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.