SCHEMBL3435512

SCHEMBL3435512

CC1CCN(c2ncnc(Cl)c2[N+](=O)[O-])CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.53
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 6/20 0.46
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RPS6KB1 P23443 2/20 0.45
HTT P42858 3/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 1/20 0.44
PTK2B Q14289 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LCK P06239 1/20 0.43
HSP90AA1 P07900 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL30623377 0.85 CUL4A (0.50) CUL4ARPS6KB1HTTNPC1GPR119
SCHEMBL28658214 0.85 CUL4A (0.50) CUL4ARPS6KB1HTTNPC1GPR119
SCHEMBL30623376 0.84 CUL4A (0.59) CUL4AALDH1A1POLBMAPTMAPK1
SCHEMBL28644797 0.84 CUL4A (0.59) CUL4AALDH1A1POLBMAPTMAPK1
SCHEMBL30623383 0.82 CUL4A (0.57) CUL4AALDH1A1POLBMAPTMAPK1
SCHEMBL28650731 0.82 CUL4A (0.57) CUL4AALDH1A1POLBMAPTMAPK1
SCHEMBL3959683 0.82 CUL4A (0.47) CUL4ARPS6KB1HTTNPC1GPR119
SCHEMBL30623370 0.80 CUL4A (0.49) CUL4AALDH1A1POLBMAPTMAPK1
SCHEMBL28650052 0.80 CUL4A (0.49) CUL4AALDH1A1POLBMAPTMAPK1
SCHEMBL30623395 0.80 CNR1 (0.57) CUL4AALDH1A1MAPTMAPK1NPSR1

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 CUL4A 2114/4885ALDH1A1 975/4885POLB 4512/4885

“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.