SCHEMBL2608522

SCHEMBL2608522

COC(=O)C(C(=O)OC)c1ccc(Br)cc1N=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MAPT P10636 5/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 4/20 0.38
POLB P06746 2/20 0.38
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
MEN1 O00255 2/20 0.34
NR4A2 P43354 1/20 0.33
LPAR1 Q92633 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 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
SCHEMBL19647652 0.80 CA1 (0.44) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL22667294 0.76 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AKDM4EHDAC1
SCHEMBL10153310 0.76 NR4A2 (0.47) ALDH1A1MAPTNR4A2SMN1; SMN2
SCHEMBL18468174 0.75 KMT2A (0.43) ALDH1A1MAPTKMT2AKDM4EPOLB
SCHEMBL30558592 0.73 ALDH1A1 (0.64) ALDH1A1MAPTKDM4ENPSR1SMN1; SMN2
SCHEMBL395221 0.73 ALDH1A1 (0.64) ALDH1A1MAPTKDM4ENPSR1SMN1; SMN2
SCHEMBL10277959 0.72 ERN1 (0.31) MAPTKMT2AKDM4EPOLBMEN1
SCHEMBL18807913 0.72 ALDH1A1 (0.38) ALDH1A1KMT2AKDM4EPOLBLMNA
SCHEMBL14095369 0.72 ALDH1A1 (0.42) ALDH1A1MAPTKMT2AKDM4EPOLB
SCHEMBL12743719 0.71 ERN1 (0.32) ALDH1A1

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-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 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-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 ALDH1A1 3735/4885MAPT 3420/4885KMT2A 679/4885

“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.