SCHEMBL14019591

SCHEMBL14019591

CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)c(C(=O)NCCCCCC(=O)N(C)C)s1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 2/20 0.39
AOC3 Q16853 17/20 0.38
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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 SCHEMBL4870771 0.99 AOC3 (0.39) TBK1AOC3HDAC3HDAC1HDAC2
SCHEMBL14019589 0.99 AOC3 (0.39) TBK1AOC3
Hydrochloric Acid SCHEMBL4872964 0.98 AOC3 (0.39) TBK1AOC3
SCHEMBL14019569 0.97 AOC3 (0.39) TBK1AOC3
Hydrochloric Acid SCHEMBL4872975 0.96 AOC3 (0.40) TBK1AOC3
SCHEMBL14019567 0.93 AOC3 (0.40) AOC3
Hydrochloric Acid SCHEMBL4873088 0.92 AOC3 (0.41) AOC3
SCHEMBL14019594 0.89 AOC3 (0.41) AOC3
Hydrochloric Acid SCHEMBL4873140 0.88 AOC3 (0.41) AOC3
SCHEMBL14019562 0.88 AOC3 (0.41) AOC3

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 3 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-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 TBK1 4520/4885AOC3 202/4885HDAC3 4682/4885
US-20070208068-A1 Aqueous Composition Comprising Thiazole Derivative SLC5A1, SLC5A2, SLC10A1 TBK1 460/4885AOC3 3576/4885HDAC3 458/4885

“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.