SCHEMBL7104741

SCHEMBL7104741

O=C(O)c1ccc(Cc2ccc3ccc(C(=O)OCc4ccncc4)cc3c2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
CNR2 P34972 1/20 0.42
MEN1 O00255 1/20 0.41
PIM1 P11309 1/20 0.39
ROCK2 O75116 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL6843224 0.90 LMNA (0.50) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL6844631 0.88 RXRA (0.45) KMT2AKDM4EMAPTMEN1PIM1
SCHEMBL6843418 0.88 SRD5A2 (0.45) KMT2AMAPTMEN1PIM1NPC1
SCHEMBL6843050 0.88 MAPT (0.46) KMT2AMAPTMEN1PIM1NPC1
SCHEMBL6845385 0.88 RXRA (0.45) KMT2AMEN1PIM1NPC1RAB9A
SCHEMBL6844736 0.88 NR4A2 (0.45) KMT2AMAPTMEN1PIM1NPC1
SCHEMBL6843022 0.87 SRD5A2 (0.48) KMT2AMEN1PIM1
SCHEMBL6844668 0.86 NPC1 (0.49) KMT2AKDM4EMAPTMEN1NPC1
SCHEMBL6838251 0.85 ALDH1A1 (0.52) KMT2AKDM4EMAPTMEN1PIM1
SCHEMBL6845496 0.85 MAPT (0.42) KMT2AKDM4EMAPTCNR2MEN1

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 4149/4885KDM4E 1987/4885MAPT 1745/4885

“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.