SCHEMBL6748764

SCHEMBL6748764

C[C@@H](O)[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(O)cc4)CC3)cc2)c1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.72
GAA P10253 4/20 0.72
KDM4E B2RXH2 3/20 0.72
ALDH1A1 P00352 3/20 0.72
LMNA P02545 3/20 0.72
HTT P42858 2/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
DGAT1 O75907 5/20 0.48
PKM P14618 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.42
ROCK2 O75116 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
POLB P06746 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 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
SCHEMBL6752323 1.00 MAPT (0.72) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL6748762 1.00 MAPT (0.72) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL8196645 1.00 MAPT (0.72) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL6752606 1.00 MAPT (0.72) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL23355364 0.91 MAPT (0.73) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL23355908 0.91 MAPT (0.73) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL20639805 0.89 MAPT (0.57) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL6944234 0.89 MAPT (0.70) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL6939775 0.89 MAPT (0.70) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL8445710 0.89 MAPT (0.70) MAPTGAAKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958289-B1 AMINO ACID ESTER CONTAINING AZOLE ANTIFUNGALS JANSSEN PHARMACEUTICA NV (BE) 2004-06-30 EP disclosed
US-6703506-B2 DIOXOLANE DERIVATIVES AND INTERMEDIATES JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-09 US disclosed
US-20030158210-A1 Amino acid ester containing azole antifungals MEERPOEL LIEVEN (BE) 2003-08-21 US disclosed
US-6512116-B2 No drug resistance; intravenous JANSSEN PHARMACEUTICA NV (BE) 2003-01-28 US disclosed
US-6262052-B1 Amino acid ester containing azole antifungals JANSSEN PHARMACEUTICA N.V. (BE) 2001-07-17 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-20030158210-A1 Amino acid ester containing azole antifungals DAO, SLC7A1, IL4I1 MAPT 3961/4885GAA 2428/4885KDM4E 1361/4885

“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.