SCHEMBL5147740

SCHEMBL5147740

NC(=O)CC(=S)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
TP53 P04637 1/20 0.56
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
MAPT P10636 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
GAA P10253 1/20 0.52
KCNMA1 Q12791 1/20 0.51
ALDH1A1 P00352 3/20 0.50
PHGDH O43175 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL29838526 0.82 MEN1 (0.62) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL1883671 0.82 MEN1 (0.62) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL30388225 0.82 KMT2A (0.71) KMT2AMEN1TP53RAB9ANPC1
SCHEMBL1745798 0.82 KMT2A (0.71) KMT2AMEN1TP53RAB9ANPC1
Hydrochloric Acid SCHEMBL8764180 0.81 MEN1 (0.60) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL28426188 0.78 KMT2A (0.65) KMT2AMEN1TP53RAB9ANPC1
SCHEMBL6857920 0.77 KMT2A (0.73) KMT2AMEN1TP53RAB9ANPC1
SCHEMBL11332310 0.77 KMT2A (0.73) KMT2AMEN1TP53RAB9ANPC1
SCHEMBL1086052 0.76 KMT2A (0.58) KMT2AMEN1TP53RAB9ANPC1
SCHEMBL1086054 0.76 KMT2A (0.78) KMT2AMEN1TP53RAB9ANPC1

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 KMT2A 3558/4885MEN1 2585/4885TP53 57/4885
US-20060009500-A1 Antiproliferative 1,2,3-thiadiazole compounds CCNA1, CCND3, ACIN1 KMT2A 2751/4885MEN1 1548/4885TP53 33/4885

“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.