SCHEMBL3436006

SCHEMBL3436006

COc1cc(N)c(N2CCN(CC(N)=O)CC2)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
P4HB P07237 1/20 0.37
TSHR P16473 1/20 0.37
HTR1A P08908 1/20 0.36

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
SCHEMBL3436843 0.87 MEN1 (0.45) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL3435639 0.82 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL4412154 0.78 LMNA (0.56) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL3435121 0.78 USP8 (0.47) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL3434270 0.75 GAA (0.46) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL3436844 0.73 LMNA (0.42) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL4393525 0.72 MEN1 (0.64) MEN1KMT2AGAAMAPK1L3MBTL1
SCHEMBL4395587 0.72 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL3435589 0.70 GAA (0.43) ALDH1A1KDM4EGAASMN1; SMN2HTT
SCHEMBL3436304 0.70 POLB (0.48) ALDH1A1MEN1KMT2ALMNAGAA

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 ALDH1A1 975/4885MEN1 4778/4885KMT2A 1707/4885

“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.