SCHEMBL6504880

SCHEMBL6504880

O=C1N=C(NC2CC3C=CC2C3)SC1CC(=O)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
KMT2A Q03164 3/20 0.33
POLB P06746 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX2 P34913 3/20 0.33
KDM4E B2RXH2 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALOX15 P16050 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL14344793 1.00 TSHR (0.42) TSHRKMT2APOLBALDH1A1MEN1
SCHEMBL6503292 0.90 ALDH1A1 (0.35) TSHRPOLBALDH1A1NPSR1EPHX2
SCHEMBL6427696 0.85 DPP8 (0.34) TSHRALDH1A1EPHX2KDM4ETDP1
SCHEMBL6427367 0.84 MAPT (0.37) TSHRALDH1A1EPHX2KDM4ETDP1
SCHEMBL6427323 0.83 DPP4 (0.40) KMT2AALDH1A1MEN1NPSR1KDM4E
SCHEMBL6427655 0.82 LMNA (0.36)
SCHEMBL6426304 0.81 EPHX2 (0.34) TSHRKMT2APOLBALDH1A1MEN1
SCHEMBL6507788 0.80 ALDH1A1 (0.39) TSHRKMT2APOLBALDH1A1MEN1
SCHEMBL6426277 0.80 ALDH1A1 (0.43) TSHRKMT2AALDH1A1MEN1NPSR1
SCHEMBL6426662 0.80 EPHX2 (0.36) KMT2APOLBALDH1A1MEN1EPHX2

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 TSHR 2078/4885KMT2A 3213/4885POLB 1038/4885

“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.