SCHEMBL6488588

SCHEMBL6488588

O=C(O)c1ccc(CN2C=NC3=C(C2)CN(CC#Cc2nc4ccccc4[nH]2)CC3)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
GFER P55789 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD4 P21917 4/20 0.34
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
MMP13 P45452 2/20 0.33
HTR2B P41595 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
AKT1 P31749 2/20 0.31
AKT2 P31751 2/20 0.31
AKT3 Q9Y243 1/20 0.31
AGTR1 P30556 1/20 0.31

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
SCHEMBL6488328 0.92 DRD4 (0.40) L3MBTL1GAAMAPTGFERTDP1
SCHEMBL6501637 0.91 ALDH1A1 (0.39) L3MBTL1GAAMAPTGFERTDP1
SCHEMBL6494056 0.90 HTR2B (0.41) L3MBTL1GAAMAPTGFERTDP1
SCHEMBL6496243 0.89 DRD4 (0.43) L3MBTL1GAAMAPTGFERTDP1
SCHEMBL6485453 0.88 DRD4 (0.37) L3MBTL1GAAMAPTGFERTDP1
SCHEMBL6499103 0.88 DRD4 (0.35) L3MBTL1GAAMAPTGFERTDP1
SCHEMBL6500672 0.88 DRD4 (0.35) L3MBTL1GAAMAPTGFERTDP1
SCHEMBL6487052 0.88 DRD4 (0.36) L3MBTL1GAAMAPTGFERTDP1
SCHEMBL6490571 0.88 DRD4 (0.35) L3MBTL1GAAMAPTGFERTDP1
SCHEMBL6484812 0.86 DRD2 (0.33) L3MBTL1GAAMAPTGFERTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6869958-B2 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-03-22 US disclosed
US-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-02-26 US disclosed
WO-2004014909-A1 FUSED TETRAHYDROPYRIDINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (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-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors MMP9, MMP3, MMP13 L3MBTL1 3776/4885GAA 711/4885MAPT 1684/4885

“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.