SCHEMBL5118212

SCHEMBL5118212

COC(=O)C1CN(Cc2ccc(F)cc2)C(=O)c2c(OCc3ccccc3)c3n(c21)CCN(C)C3=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MMP13 P45452 1/20 0.35
CHRM4 P08173 1/20 0.35
S1PR5 Q9H228 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRM2 Q14416 1/20 0.34
FKBP1A P62942 1/20 0.34

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
SCHEMBL4747039 0.85 MEN1 (0.38) HTTALDH1A1MMP13MEN1KMT2A
SCHEMBL5112048 0.76 MEN1 (0.41) POLBHTTALDH1A1MMP13MEN1
SCHEMBL4748752 0.75 ALDH1A1 (0.37) L3MBTL1ALDH1A1GRM2
SCHEMBL14033586 0.73 HTT (0.35) POLBHTTALDH1A1MMP13KMT2A
SCHEMBL5114547 0.71 MCHR1 (0.35) SMN1; SMN2HTTALDH1A1
SCHEMBL5113909 0.71 SMN1; SMN2 (0.42) SMN1; SMN2LMNAL3MBTL1NCOA3POLB
SCHEMBL3984185 0.71 LMNA (0.40) SMN1; SMN2LMNAL3MBTL1NCOA3POLB
SCHEMBL3982263 0.68 SMN1; SMN2 (0.40) SMN1; SMN2LMNAL3MBTL1NCOA3POLB
SCHEMBL3989708 0.68 SMN1; SMN2 (0.40) SMN1; SMN2LMNAL3MBTL1NCOA3POLB
SCHEMBL3982232 0.68 ALDH1A1 (0.38) SMN1; SMN2LMNAL3MBTL1NCOA3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332518-B2 Carboxamides as fungicides in agriculture SYNGENTA CROP PROTECTION, INC. (US) 2008-02-19 US claimed
US-20040138265-A1 Carboxamides as fungicides in agriculture SYNGENTA CROP PROTECTION, INC. 2004-07-15 US claimed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US disclosed
US-7332518-B2 Carboxamides as fungicides in agriculture SYNGENTA CROP PROTECTION, INC. (US) 2008-02-19 US disclosed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 US disclosed
US-20040138265-A1 Carboxamides as fungicides in agriculture SYNGENTA CROP PROTECTION, INC. 2004-07-15 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-20040138265-A1 Carboxamides as fungicides in agriculture CBR3, CBR1, CNPY3 SMN1; SMN2 4517/4885LMNA 2927/4885L3MBTL1 310/4885
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors DHPS, DPYD, TYMP SMN1; SMN2 3773/4885LMNA 2784/4885L3MBTL1 773/4885

“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.