SCHEMBL783041

SCHEMBL783041

CC(=O)c1cncn(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
BRD4 O60885 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADORA2B P29275 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
IDO1 P14902 1/20 0.33
GABRA5 P31644 1/20 0.33
LMNA P02545 2/20 0.32
HPGD P15428 2/20 0.32
BRD9 Q9H8M2 1/20 0.32
BCAT2 O15382 1/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
S1PR4 O95977 1/20 0.32
MAPT P10636 1/20 0.32
S1PR1 P21453 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK1 P28482 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
SCHEMBL783327 0.84 CHEK1 (0.39) ALDH1A1KDM4EL3MBTL1IDO1GABRA5
SCHEMBL23249300 0.82 SIRT3 (0.43) KDM4EBRD4IDO1GABRA5BRD9
SCHEMBL23900702 0.79 BRD4 (0.45) ALDH1A1KDM4EBRD4L3MBTL1GABRA5
SCHEMBL12993574 0.75 KDM4E (0.49) ALDH1A1KDM4EL3MBTL1LMNAHPGD
SCHEMBL890196 0.72
SCHEMBL8404472 0.70
SCHEMBL24267835 0.69 IDO1 (0.34) IDO1GABRA5LMNABRD9MAPK1
SCHEMBL18666717 0.67 CHRM5 (0.37) KDM4EGABRA5LMNABRD9MAPT
SCHEMBL6010185 0.66 IDO1 (0.41) ALDH1A1KDM4EIDO1LMNAMAPT
SCHEMBL22229480 0.65 KDM4E (0.42) ALDH1A1KDM4EGABRA5LMNAHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 US disclosed
US-8088794-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2012-01-03 US disclosed
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2011-05-19 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 (2 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-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES HGF, HGFAC, MET ALDH1A1 58/4885KDM4E 3048/4885BRD4 3005/4885
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET ALDH1A1 76/4885KDM4E 3651/4885BRD4 3384/4885

“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.