SCHEMBL3772652

SCHEMBL3772652

CC(=O)N(C)c1ccc(NC(=O)O)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
DGAT1 O75907 3/20 0.41
TRPV1 Q8NER1 4/20 0.40
P4HTM Q9NXG6 2/20 0.40
PIK3CA P42336 3/20 0.39
MTOR P42345 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL25202900 0.85 TRPV1 (0.52) DGAT1TRPV1P4HTMPIK3CAMTOR
SCHEMBL13002821 0.83 ALDH1A1 (0.38) ALDH1A1RAB9ASMN1; SMN2DGAT1TRPV1
SCHEMBL8278725 0.78 RAB9A (0.43) ALDH1A1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL27961398 0.77 TRPV1 (0.59) DGAT1TRPV1
SCHEMBL15962680 0.75 TRPV1 (0.52) ALDH1A1RAB9ASMN1; SMN2TRPV1P4HTM
SCHEMBL4596038 0.75 HCAR3 (0.59) ALDH1A1P4HTMMAPT
SCHEMBL3774058 0.74 ALDH1A1 (0.72) ALDH1A1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL30919458 0.73 NPSR1 (0.57) ALDH1A1RAB9ASMN1; SMN2P4HTMPIK3CA
SCHEMBL2242286 0.73 NPSR1 (0.57) ALDH1A1RAB9ASMN1; SMN2P4HTMPIK3CA
SCHEMBL17729302 0.73 P4HTM (0.54) ALDH1A1RAB9ASMN1; SMN2P4HTMKMT2A

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-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 ALDH1A1 353/4885RAB9A 1416/4885SMN1; SMN2 2454/4885

“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.