SCHEMBL3435935

SCHEMBL3435935

COC(C)CN(C)c1nc(C(=O)O)cs1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PLA2G4A P47712 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
GRM5 P41594 2/20 0.34
PTGER1 P34995 1/20 0.34
ACACB O00763 1/20 0.33
LDHA P00338 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3546215 0.78 GRM5 (0.35) GRM5MEN1KMT2A
SCHEMBL3551333 0.77 ALDH1A1 (0.41) L3MBTL1ALDH1A1PLA2G4AMMP1MMP2
SCHEMBL13634203 0.77 L3MBTL1 (0.36) L3MBTL1ALDH1A1PLA2G4AMMP1MMP2
Hydrochloric Acid SCHEMBL2077470 0.76 ALDH1A1 (0.40) L3MBTL1ALDH1A1PLA2G4AMMP1MMP2
SCHEMBL3435890 0.75 THRB (0.40) L3MBTL1ALDH1A1PLA2G4AMMP1MMP2
SCHEMBL3436066 0.75 THRB (0.40) L3MBTL1ALDH1A1PLA2G4AMMP1MMP2
SCHEMBL15888636 0.75 L3MBTL1 (0.41) L3MBTL1ALDH1A1PLA2G4AMMP1MMP2
SCHEMBL13162589 0.75 L3MBTL1 (0.41) L3MBTL1ALDH1A1PLA2G4AMMP1MMP2
SCHEMBL13634208 0.75 PLA2G4A (0.46) L3MBTL1ALDH1A1PLA2G4AMMP1MMP2
SCHEMBL13634317 0.74 ALDH1A1 (0.39) L3MBTL1ALDH1A1PLA2G4AMMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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 (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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 L3MBTL1 3267/4885ALDH1A1 975/4885PLA2G4A 3539/4885

“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.