SCHEMBL12433199

SCHEMBL12433199

CC(=O)NCCN(CCNC(C)=O)CCN(CCNC(C)=O)CCNC(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HIF1A Q16665 1/20 0.40
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
TSHR P16473 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 2/20 0.36
PAOX Q6QHF9 3/20 0.34
USP2 O75604 1/20 0.33
ADRA1A P35348 1/20 0.33
NFKB1 P19838 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP3A4 P08684 2/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 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
SCHEMBL12387743 0.92 KMT2A (0.42) MAPK1KDM4ETSHRCYP2C19KMT2A
SCHEMBL15613399 0.90 KMT2A (0.43) MAPK1KDM4ETSHRCYP2C19KMT2A
SCHEMBL16790905 0.85 KDM4E (0.52) MAPK1KDM4EHIF1AMTNR1AMTNR1B
SCHEMBL23794346 0.85 KDM4E (0.40) MAPK1KDM4EHIF1AMTNR1AMTNR1B
SCHEMBL10311745 0.83 MAPK1 (0.50) MAPK1KDM4EHIF1AMTNR1AMTNR1B
SCHEMBL5157765 0.83 KDM4E (0.55) MAPK1KDM4EHIF1AMTNR1AMTNR1B
SCHEMBL23839876 0.83 MAPK1 (0.39) MAPK1KDM4EHIF1AMTNR1AMTNR1B
SCHEMBL8404632 0.82 KMT2A (0.39) MAPK1KDM4ETSHRCYP2C19KMT2A
SCHEMBL15613403 0.81 KMT2A (0.45) TSHRCYP2C19KMT2ACYP2D6CYP2C9
SCHEMBL16789572 0.81 KMT2A (0.36) MAPK1TSHRCYP2C19KMT2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110189088-A1 RADIOPHARMACEUTICAL COMPLEXES LUMIPHORE, INC. (US) 2011-08-04 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-20110189088-A1 RADIOPHARMACEUTICAL COMPLEXES SLC39A3, SLC30A5, SLC40A1 MAPK1 4867/4885KDM4E 3181/4885HIF1A 1411/4885

“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.