SCHEMBL6843399

SCHEMBL6843399

O=C(O)c1ccc(C(O)c2cc3cc(C(=O)OCc4cccnc4)ccc3cc2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
ROCK2 O75116 2/20 0.40
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
HDAC1 Q13547 4/20 0.37
HCRTR1 O43613 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR132 Q9UNW8 3/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36

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
SCHEMBL6195792 0.89 LMNA (0.47) KMT2ALMNATDP1KDM4ENPC1
SCHEMBL6845498 0.88 MAPT (0.41) KMT2ALMNATDP1ROCK2KDM4E
SCHEMBL6843373 0.83 LMNA (0.48) LMNAALDH1A1
SCHEMBL6845397 0.83 THRB (0.44) KMT2AKDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL6843321 0.82 MAPT (0.40) KMT2ALMNANPC1RAB9AALDH1A1
SCHEMBL6843368 0.82 RXRA (0.44) KMT2ALMNAKDM4ENPC1RAB9A
SCHEMBL6843441 0.82 RXRA (0.44) KMT2ALMNAROCK2NPC1RAB9A
SCHEMBL6838146 0.82 NR4A2 (0.44) KMT2ALMNANPC1RAB9AALDH1A1
SCHEMBL6842433 0.82 MAPT (0.45) KMT2ALMNANPC1RAB9AALDH1A1
SCHEMBL6212000 0.82 NPC1 (0.46) KMT2ATDP1KDM4ENPC1RAB9A

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.