SCHEMBL7834009

SCHEMBL7834009

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
KDM4E B2RXH2 3/20 0.64
LMNA P02545 2/20 0.64
GAA P10253 2/20 0.64
ALDH1A1 P00352 2/20 0.64
HTT P42858 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
DGAT1 O75907 5/20 0.41
PKM P14618 1/20 0.40
KCNH2 Q12809 1/20 0.37
OPRD1 P41143 1/20 0.36
HSD17B3 P37058 1/20 0.36
ME2 P23368 2/20 0.36
ME1 P48163 2/20 0.36
ME3 Q16798 2/20 0.36
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL8501796 0.87 MAPT (0.64) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL14764336 0.86 MAPT (0.65) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL9665897 0.85 MAPT (0.65) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL8504055 0.85 MAPT (0.57) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL7834004 0.83 MAPT (0.61) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL7834002 0.83 MAPT (0.61) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL9665027 0.83 MAPT (0.62) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL9279160 0.81 MAPT (0.60) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL9666082 0.80 MAPT (0.62) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL9666033 0.80 MAPT (0.59) MAPTKDM4ELMNAGAAALDH1A1

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 1361/4885LMNA 3954/4885

“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.