SCHEMBL6678968

SCHEMBL6678968

CN1C(=O)C(Cc2ccccc2)C(=O)c2cc(C(=O)O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.49
NR1H3 Q13133 2/20 0.49
PARK7 Q99497 1/20 0.48
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
CES2 O00748 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4C Q9H3R0 1/20 0.41
POLB P06746 2/20 0.40
TTR P02766 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
PTPRC P08575 2/20 0.38
ALOX15 P16050 1/20 0.38
CCKBR P32239 1/20 0.38

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
SCHEMBL6664550 0.89 ROCK2 (0.43) NR1H2NR1H3PARK7HPGDALDH1A1
SCHEMBL6680821 0.89 ALDH1A1 (0.41) NR1H2NR1H3PARK7HPGDALDH1A1
SCHEMBL6664500 0.89 NR1H2 (0.41) NR1H2NR1H3PARK7HPGDALDH1A1
SCHEMBL6665657 0.86 ALDH1A1 (0.60) HPGDALDH1A1KDM4EKMT2AMEN1
SCHEMBL6662847 0.85 TSHR (0.41) NR1H2NR1H3PARK7HPGDALDH1A1
SCHEMBL6680077 0.85 NR1H2 (0.40) NR1H2NR1H3PARK7HPGDALDH1A1
SCHEMBL6681227 0.82 PRKAG1 (0.39) NR1H2NR1H3PARK7HPGDALDH1A1
SCHEMBL6685279 0.82 NR1H2 (0.38) NR1H2NR1H3PARK7HPGDALDH1A1
SCHEMBL17070921 0.81 KDM4E (0.69) HPGDALDH1A1KDM4EKMT2AMEN1
SCHEMBL6663962 0.80 ROCK2 (0.46) CCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043985-A1 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors HICKS JAMES LESTER (US) 2004-03-04 US disclosed
WO-2004014388-A1 6,6-FUSED HETEROARYL 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-20040043985-A1 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP26, MMP9 NR1H2 374/4885NR1H3 597/4885PARK7 639/4885

“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.