SCHEMBL6842564

SCHEMBL6842564

O=C(O)c1ccc(Cc2cnc3ccc(C(=O)OCc4cccnc4)cc3c2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC1 Q13547 4/20 0.39
KDM4C Q9H3R0 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TBXAS1 P24557 2/20 0.38
ACHE P22303 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL6196320 0.91 LMNA (0.46) KMT2ALMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL6842398 0.89 MAPT (0.41) KMT2ALMNATDP1TSHR
SCHEMBL6845415 0.85 PAX8 (0.42) KMT2AALDH1A1SMN1; SMN2
SCHEMBL6843378 0.85 NR4A2 (0.44) KMT2ALMNAKDM4C
SCHEMBL6844771 0.85 RXRA (0.44) KMT2ALMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL6843455 0.85 RXRA (0.44) KMT2ALMNAALDH1A1
SCHEMBL6842986 0.85 NR4A2 (0.44) KMT2ATDP1ALDH1A1
SCHEMBL6195651 0.84 THRB (0.47) ALDH1A1SMN1; SMN2TSHR
SCHEMBL6193976 0.83 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2
SCHEMBL6838124 0.83 TP53 (0.38) KMT2ALMNAALDH1A1SMN1; SMN2TSHR

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-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-03-04 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-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors MMP9, MMP8, MMP13 KMT2A 4149/4885LMNA 1548/4885TDP1 1549/4885

“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.