SCHEMBL5148534

SCHEMBL5148534

O=C(NN1CCOCC1)c1nnsc1Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 2/20 0.56
MAPT P10636 3/20 0.47
GAA P10253 3/20 0.47
DGAT1 O75907 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 2/20 0.42
CYP2D6 P10635 1/20 0.42
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41

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
SCHEMBL5146319 0.76 ILK (0.73) ILKMAPTGAASMN1; SMN2HPGD
SCHEMBL5147724 0.76 ILK (0.68) ILKMAPTGAASMN1; SMN2HPGD
SCHEMBL5146269 0.75 ILK (0.77) ILKMAPTGAASMN1; SMN2HPGD
SCHEMBL5147757 0.74 ILK (0.65) ILKMAPTGAASMN1; SMN2HPGD
SCHEMBL5147602 0.73 ILK (1.00) ILKMAPTGAASMN1; SMN2HTT
SCHEMBL4224936 0.72 SMN1; SMN2 (0.46) GAASMN1; SMN2HPGDHTTCYP2D6
SCHEMBL3955220 0.71 SMN1; SMN2 (0.71) MAPTGAASMN1; SMN2HTTCYP2D6
SCHEMBL5147557 0.68 ILK (0.74) ILKMAPTGAASMN1; SMN2HTT
SCHEMBL219620 0.68 SMN1; SMN2 (0.67) MAPTGAASMN1; SMN2HPGDNPSR1
SCHEMBL5146303 0.67 ILK (1.00) ILKMAPTGAASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288556-B2 Antiproliferative 1,2,3-thiadiazole compounds QLT INC. (CA) 2007-10-30 US disclosed
US-7022702-B2 Antiproliferative 1,2,3-thiadiazole compounds QLT INC. (CA) 2006-04-04 US disclosed
US-20060009500-A1 Antiproliferative 1,2,3-thiadiazole compounds QLT INC. (CA) 2006-01-12 US disclosed
US-20030096848-A1 Antiproliferative 1,2,3-thiadiazole compounds DERMIRA (CANADA), INC. 2003-05-22 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 (2 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-20030096848-A1 Antiproliferative 1,2,3-thiadiazole compounds CCNA1, CCND1, CCND3 ILK 1286/4885MAPT 4864/4885GAA 3900/4885
US-20060009500-A1 Antiproliferative 1,2,3-thiadiazole compounds CCNA1, CCND3, ACIN1 ILK 2862/4885MAPT 4790/4885GAA 4451/4885

“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.