SCHEMBL14019486

SCHEMBL14019486

CC(=O)Nc1nc(CCc2ccc(NC(=O)CNC(=N)N)cc2)cs1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 19/20 0.65
MAOB P27338 3/20 0.61
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
Hydrochloric Acid SCHEMBL4872264 0.99 AOC3 (0.64) AOC3MAOB
SCHEMBL1444050 0.89 AOC3 (0.72) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL14019508 0.86 AOC3 (0.70) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL3000919 0.86 AOC3 (0.70) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL14365395 0.85 AOC3 (0.64) AOC3MAOBKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL4873544 0.85 AOC3 (0.69) AOC3MAOB
Hydrochloric Acid SCHEMBL4876217 0.85 AOC3 (0.69) AOC3MAOB
Hydrochloric Acid SCHEMBL3943651 0.84 AOC3 (0.62) AOC3MAOB
SCHEMBL4876122 0.84 AOC3 (0.71) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL14365393 0.84 AOC3 (0.67) AOC3MAOBKMT2ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20070208068-A1 Aqueous Composition Comprising Thiazole Derivative R-TECH UENO, LTD. & ASTELLAS PHARMA INC. 2007-09-06 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB AOC3 202/4885MAOB 923/4885KMT2A 4255/4885
US-20070208068-A1 Aqueous Composition Comprising Thiazole Derivative SLC5A1, SLC5A2, SLC10A1 AOC3 3576/4885MAOB 3792/4885KMT2A 3446/4885

“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.