SCHEMBL4982831

SCHEMBL4982831

O=C1Nc2cc(F)c(F)cc2C12NN=C(c1ccccc1)S2

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 19/20 0.70
SLC27A2 O14975 1/20 0.70
ALDH1A1 P00352 3/20 0.65
LMNA P02545 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
MEN1 O00255 2/20 0.65
MAPK1 P28482 2/20 0.65
KMT2A Q03164 2/20 0.65
MAPT P10636 2/20 0.65
HTT P42858 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
HPGD P15428 2/20 0.65
XBP1 P17861 1/20 0.65
MDM2 Q00987 1/20 0.65
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.52

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
SCHEMBL24571119 0.87 ADAMTS5 (0.74) ADAMTS5SLC27A2ALDH1A1LMNASMN1; SMN2
SCHEMBL4201238 0.82 ADAMTS5 (1.00) ADAMTS5SLC27A2ALDH1A1LMNASMN1; SMN2
SCHEMBL24571274 0.82 ADAMTS5 (0.74) ADAMTS5SLC27A2ALDH1A1LMNASMN1; SMN2
SCHEMBL22571281 0.80 ADAMTS5 (0.70) ADAMTS5SLC27A2ALDH1A1LMNASMN1; SMN2
SCHEMBL4985793 0.79 ADAMTS5 (0.77) ADAMTS5SLC27A2ALDH1A1LMNASMN1; SMN2
SCHEMBL22571289 0.79 ADAMTS5 (0.69) ADAMTS5SLC27A2ALDH1A1LMNASMN1; SMN2
SCHEMBL4356626 0.79 ADAMTS5 (1.00) ADAMTS5SLC27A2ALDH1A1LMNASMN1; SMN2
SCHEMBL22571238 0.78 ADAMTS5 (0.80) ADAMTS5SLC27A2ALDH1A1LMNASMN1; SMN2
SCHEMBL22571262 0.76 ADAMTS5 (0.68) ADAMTS5SLC27A2ALDH1A1LMNASMN1; SMN2
SCHEMBL24571266 0.75 ADAMTS5 (0.73) ADAMTS5SLC27A2ALDH1A1LMNASMN1; SMN2

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-20080125469-A1 Thiadiazole compounds and methods of use thereof WYETH (US) 2008-05-29 US claimed
US-20080125469-A1 Thiadiazole compounds and methods of use thereof WYETH (US) 2008-05-29 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-20080125469-A1 Thiadiazole compounds and methods of use thereof ADAMTS5, ADAMTS1, TIMP3 ADAMTS5 1/4885SLC27A2 4766/4885ALDH1A1 388/4885

“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.