SCHEMBL23913236

SCHEMBL23913236

CC(C)(C)NC(=O)N1CCCCN1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 1/20 0.37
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
CA2 P00918 1/20 0.31
CHKA P35790 1/20 0.31
P2RX4 Q99571 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
SCHEMBL7212050 0.79 POLB (0.43) MMP3HDAC3HDAC1HDAC2POLB
SCHEMBL9355118 0.72
SCHEMBL20197951 0.71
SCHEMBL2757925 0.71 LMNA (0.60) LMNASMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL6628000 0.71 LMNA (0.55) LMNASMN1; SMN2GAAPOLBKMT2A
SCHEMBL11368635 0.71 MMP3 (0.42) MMP3SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL7458218 0.71
SCHEMBL27323442 0.71 CA2 (0.44) MMP3ALDH1A1CA2CHKA
SCHEMBL4923319 0.70 HPGD (0.41) MMP3SMN1; SMN2MEN1KMT2A
SCHEMBL3118731 0.70 LMNA (0.58) LMNASMN1; SMN2ALDH1A1GAAMEN1

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-20210317089-A1 HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2021-10-14 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-20210317089-A1 HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINES DDT, DPYD, GSTP1 MMP3 3157/4885LMNA 4631/4885SMN1; SMN2 3186/4885

“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.