SCHEMBL6752273

SCHEMBL6752273

COc1ccc(N2CCN(c3ccc(-n4cnn([C@@H](C)[C@H](C)O)c4=O)cc3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.71
ALDH1A1 P00352 4/20 0.55
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
GAA P10253 2/20 0.55
KDM4E B2RXH2 2/20 0.55
HTT P42858 1/20 0.55
DGAT1 O75907 3/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 4/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.41
AKR1C3 P42330 1/20 0.41
TSHR P16473 1/20 0.40
HSD17B3 P37058 1/20 0.40

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
SCHEMBL6750795 1.00 MAPT (0.71) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL6752264 1.00 MAPT (0.71) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL6750794 1.00 MAPT (0.71) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL7449366 0.88 MAPT (0.71) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL7449371 0.88 MAPT (0.71) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL7461552 0.88 MAPT (0.71) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL9664895 0.88 MAPT (0.78) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL6748762 0.86 MAPT (0.72) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL6748764 0.86 MAPT (0.72) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL8196645 0.86 MAPT (0.72) MAPTALDH1A1LMNASMN1; SMN2GAA

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 8 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-20010039281-A1 Amino acid ester containing azole antifungals MEERPOEL LIEVEN (BE) 2001-11-08 US disclosed
US-6262052-B1 Amino acid ester containing azole antifungals JANSSEN PHARMACEUTICA N.V. (BE) 2001-07-17 US disclosed
EP-0958289-A1 AMINO ACID ESTER CONTAINING AZOLE ANTIFUNGALS JANSSEN PHARMACEUTICA N.V. (BE) 1999-11-24 EP disclosed
WO-1998034934-A1 AMINO ACID ESTER CONTAINING AZOLE ANTIFUNGALS JANSSEN PHARMACEUTICA N.V. (BE) 1998-08-13 WO 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-20030158210-A1 Amino acid ester containing azole antifungals DAO, SLC7A1, IL4I1 MAPT 3961/4885ALDH1A1 1232/4885LMNA 3954/4885
US-20010039281-A1 Amino acid ester containing azole antifungals DAO, SLC7A1, IL4I1 MAPT 3961/4885ALDH1A1 1232/4885LMNA 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.