SCHEMBL6844749

SCHEMBL6844749

O=C(O)c1ccc(Cc2ccc3ccc(C(=O)OCc4cccnc4)cc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
LMNA P02545 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TBXAS1 P24557 9/20 0.45
HDAC1 Q13547 2/20 0.43
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
BLM P54132 1/20 0.42
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL6195895 0.87 KMT2A (0.53) KMT2ALMNATDP1ALDH1A1MEN1
SCHEMBL6845187 0.86 KMT2A (0.48) KMT2ALMNATDP1TBXAS1HDAC1
SCHEMBL10626415 0.84 TBXAS1 (0.53) KMT2ATBXAS1ALDH1A1MEN1TP53
SCHEMBL10627493 0.81 TBXAS1 (0.54) KMT2ATBXAS1ALDH1A1MEN1TP53
SCHEMBL6843398 0.81 KMT2A (0.46) KMT2ALMNATDP1TBXAS1HDAC1
SCHEMBL6244954 0.80 MAPT (0.50) KMT2ALMNATDP1ALDH1A1MEN1
SCHEMBL6193156 0.80 NR4A2 (0.50) KMT2ALMNATDP1ALDH1A1MEN1
SCHEMBL6194401 0.80 RXRA (0.50) KMT2ALMNATDP1ALDH1A1MEN1
SCHEMBL6192600 0.80 RXRA (0.50) KMT2ALMNATDP1ALDH1A1MEN1
SCHEMBL6193636 0.80 SRD5A2 (0.54) KMT2ALMNAALDH1A1MEN1NPC1

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.