SCHEMBL21540322

SCHEMBL21540322

CN(C)CCNC(=O)C(CC(=O)C(C)(C)I)NC(=O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
GRIA1 P42261 1/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DNM1 Q05193 1/20 0.31
CNR2 P34972 1/20 0.30
MMP1 P03956 1/20 0.30

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
SCHEMBL19756273 0.90 KDM4E (0.36) KDM4EALDH1A1PKMGRIA1MEN1
SCHEMBL16589732 0.85 KDM4E (0.36) KDM4EALDH1A1PKMGRIA1DNM1
SCHEMBL16589713 0.83 GRIA1 (0.37) KDM4EALDH1A1PKMGRIA1DNM1
SCHEMBL16589717 0.81 KDM4E (0.37) KDM4EALDH1A1PKMGRIA1MEN1
SCHEMBL24328660 0.81 KDM4E (0.34) KDM4EALDH1A1PKMDNM1MMP1
SCHEMBL16589716 0.80 KDM4E (0.36) KDM4EALDH1A1PKMGRIA1MEN1
SCHEMBL16589720 0.80 CCKBR (0.44)
SCHEMBL21285412 0.79 KDM4E (0.33) KDM4EALDH1A1PKMDNM1MMP1
SCHEMBL16589719 0.79 CAPN1 (0.44) KDM4EALDH1A1PKMMMP1
SCHEMBL16589728 0.76 CTSS (0.44) KDM4EALDH1A1PKM

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-20190328840-A1 CONTROLLED-RELEASE CNP AGONISTS WITH LOW INITIAL NPR-B ACTIVITY ASCENDIS PHARMA GROWTH DISORDERS A/S (DK) 2019-10-31 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-20190328840-A1 CONTROLLED-RELEASE CNP AGONISTS WITH LOW INITIAL NPR-B ACTIVITY NPR1, NPR3, CNP KDM4E 3833/4885ALDH1A1 4718/4885PKM 3166/4885

“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.