SCHEMBL2079353

SCHEMBL2079353

CC(C)(C)NC(=O)Cc1ccc(N)c(N2CCN(CC(N)=O)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
GAA P10253 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
LMNA P02545 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
USP2 O75604 1/20 0.34
HTT P42858 2/20 0.34
PKM P14618 1/20 0.33
KDR P35968 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CACNA1H O95180 1/20 0.33
IRAK4 Q9NWZ3 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
SCHEMBL3436713 0.90 ALDH1A1 (0.40) ALDH1A1GAASMN1; SMN2KDM4EMAPT
SCHEMBL2080081 0.76 GAA (0.38) ALDH1A1GAAKDM4EMAPTMEN1
SCHEMBL3435996 0.74 CYP1A2 (0.47) ALDH1A1GAASMN1; SMN2KDM4ECYP1A2
SCHEMBL3436012 0.73 HTT (0.41) ALDH1A1GAASMN1; SMN2CYP1A2CYP3A4
SCHEMBL3436530 0.68 CYP1A2 (0.38) ALDH1A1GAASMN1; SMN2MAPTGFER
SCHEMBL3556935 0.68 CYP1A2 (0.38) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL3434282 0.67 GRIN2D (0.46) ALDH1A1SMN1; SMN2KDM4EKMT2AHTT
SCHEMBL13999825 0.67 CYP1A2 (0.43) ALDH1A1GAASMN1; SMN2KDM4EGFER
SCHEMBL3436520 0.65 CYP1A2 (0.46) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL3434342 0.65 MEN1 (0.40) ALDH1A1GAASMN1; SMN2MAPTLMNA

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
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
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 ALDH1A1 975/4885GAA 3904/4885SMN1; SMN2 3601/4885

“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.