SCHEMBL12650693

SCHEMBL12650693

NOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.58
▸ EPHX2 P34913 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TLR2 O60603 2/20 0.41
▸ FABP7 O15540 1/20 0.41
▸ FABP5 Q01469 1/20 0.41
▸ CASP3 P42574 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
SCHEMBL29617446 0.92 KMT2A (0.63) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL20464122 0.92 KMT2A (0.63) KMT2AEPHX2FABP7FABP5CASP3
Hydrochloric Acid SCHEMBL29617452 0.91 KMT2A (0.62) KMT2AEPHX2TLR2FABP7FABP5
SCHEMBL15160679 0.90 KMT2A (0.58) KMT2AEPHX2SMN1; SMN2LMNATLR2
SCHEMBL30455536 0.90 KMT2A (0.58) KMT2AEPHX2SMN1; SMN2LMNATLR2
SCHEMBL31010250 0.90 KMT2A (0.58) KMT2AEPHX2SMN1; SMN2LMNATLR2
SCHEMBL20209153 0.90 KMT2A (0.58) KMT2AEPHX2SMN1; SMN2LMNATLR2
SCHEMBL19960742 0.90 KMT2A (0.58) KMT2AEPHX2SMN1; SMN2LMNATLR2
SCHEMBL5579212 0.89 KMT2A (0.55) KMT2AEPHX2SMN1; SMN2LMNATLR2
Hydrochloric Acid SCHEMBL21460614 0.89 KMT2A (0.57) KMT2AEPHX2SMN1; SMN2LMNATLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320954-B1 DIAGNOSTIC AGENTS SELECTIVE AGAINST METALLOPROTEASES BRACCO IMAGING SPA (IT) 2019-09-04 — — EP disclosed
US-9480758-B2 Diagnostic agents selective against metalloproteases BRACCO IMAGING S.P.A. (IT) 2016-11-01 — — US disclosed
US-20110117015-A1 Diagnostic Agents Selective Against Metalloproteases BRACCO IMAGING S.P.A. (IT) 2011-05-19 — — US disclosed
WO-2010010079-A1 DIAGNOSTIC AGENTS SELECTIVE AGAINST METALLOPROTEASES BRACCO IMAGING SPA (IT) 2010-01-28 — — 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-20110117015-A1 Diagnostic Agents Selective Against Metalloproteases MMP3, MMP7, MMP9 KMT2A 1798/4885EPHX2 1692/4885SMN1; SMN2 1826/4885

“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.

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