SCHEMBL3436005

SCHEMBL3436005

N#CCc1c(F)c(Cl)cc([N+](=O)[O-])c1N1CCN(CC(N)=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
MAPT P10636 10/20 0.35
CYP3A4 P08684 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
ALDH1A1 P00352 10/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 3/20 0.33
SCN9A Q15858 1/20 0.33
KDM4E B2RXH2 2/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL3434444 0.84 HSP90AA1 (0.36) HSP90AA1HSP90AB1MAPTCYP3A4ALDH1A1
SCHEMBL3436581 0.83 ALDH1A1 (0.38) HSP90AA1HSP90AB1MAPTCYP3A4ALDH1A1
SCHEMBL3436175 0.78 ALDH1A1 (0.38) MAPK1MAPTCYP3A4BLMPMP22
SCHEMBL2079989 0.76 MAPK1 (0.39) MAPK1MAPTCYP3A4BLMPMP22
SCHEMBL3435972 0.74 MAPT (0.43) MAPK1MAPTCYP3A4BLMPMP22
SCHEMBL3435961 0.74 ALDH1A1 (0.42) HSP90AA1HSP90AB1MAPTCYP3A4BLM
SCHEMBL2078953 0.72 ALDH1A1 (0.41) MAPK1MAPTCYP3A4ALDH1A1
SCHEMBL2080507 0.72 MAPT (0.41) MAPK1MAPTCYP3A4BLMPMP22
SCHEMBL3435064 0.72 MAPT (0.46) HSP90AA1HSP90AB1MAPTCYP3A4BLM
SCHEMBL3435615 0.72 MAPK1 (0.39) MAPK1MAPTCYP3A4BLMPMP22

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 MAPK1 1316/4885HSP90AA1 3446/4885HSP90AB1 3216/4885

“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.