SCHEMBL14285707

SCHEMBL14285707

CCC(=O)NCCNC(=O)CNNC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RECQL P46063 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL357314 0.78 MEN1 (0.64) MEN1KMT2ARECQLTSHRKDM4E
SCHEMBL3719179 0.78 MEN1 (0.46) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL12799428 0.78 MEN1 (0.78) MEN1KMT2ARECQLCYP1A2CYP2C9
SCHEMBL14285706 0.73 CA2 (0.31)
SCHEMBL13875921 0.72 MCL1 (0.36) KDM4E
SCHEMBL14258481 0.71 MEN1 (0.54) MEN1KMT2ARECQLCYP1A2CYP2C9
SCHEMBL6754447 0.71 MEN1 (0.54) MEN1KMT2ARECQLCYP1A2CYP2C9
SCHEMBL19441962 0.70 MEN1 (0.58) MEN1KMT2ARECQLCYP1A2CYP2C9
SCHEMBL14197498 0.70 MEN1 (0.58) MEN1KMT2ARECQL
SCHEMBL15934269 0.70 MEN1 (0.73) MEN1KMT2ARECQLTSHRKDM4E

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-20080020942-A1 Reagents and Methods for Appending Functional Groups to Proteins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-01-24 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-20080020942-A1 Reagents and Methods for Appending Functional Groups to Proteins PTMS, MTPN, FGB MEN1 3264/4885KMT2A 4171/4885RECQL 2107/4885

“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.