SCHEMBL7834002

SCHEMBL7834002

CC(CO)Cn1ncn(-c2ccc(N3CCN(c4ccc(O)cc4)CC3)cc2)c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
KDM4E B2RXH2 4/20 0.61
GAA P10253 4/20 0.61
ALDH1A1 P00352 3/20 0.61
LMNA P02545 2/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
PKM P14618 1/20 0.43
DGAT1 O75907 4/20 0.40
KMT2A Q03164 1/20 0.36
HSD17B3 P37058 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ME2 P23368 2/20 0.34
ME1 P48163 2/20 0.34
ME3 Q16798 2/20 0.34
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 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
SCHEMBL7834004 1.00 MAPT (0.61) MAPTKDM4EGAAALDH1A1LMNA
SCHEMBL14764336 0.89 MAPT (0.65) MAPTKDM4EGAAALDH1A1LMNA
SCHEMBL7834009 0.83 MAPT (0.64) MAPTKDM4EGAAALDH1A1LMNA
SCHEMBL8504055 0.82 MAPT (0.57) MAPTKDM4EGAAALDH1A1LMNA
SCHEMBL9665897 0.82 MAPT (0.65) MAPTKDM4EGAAALDH1A1LMNA
SCHEMBL9666082 0.82 MAPT (0.62) MAPTKDM4EGAAALDH1A1LMNA
SCHEMBL9665027 0.80 MAPT (0.62) MAPTKDM4EGAAALDH1A1LMNA
SCHEMBL9279160 0.78 MAPT (0.60) MAPTKDM4EGAAALDH1A1LMNA
SCHEMBL7458461 0.78 MAPT (0.56) MAPTKDM4EGAAALDH1A1LMNA
SCHEMBL9665148 0.77 MAPT (0.77) MAPTKDM4EGAAALDH1A1LMNA

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-20010039281-A1 Amino acid ester containing azole antifungals MEERPOEL LIEVEN (BE) 2001-11-08 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-20010039281-A1 Amino acid ester containing azole antifungals DAO, SLC7A1, IL4I1 MAPT 3961/4885KDM4E 1361/4885GAA 2428/4885

“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.