SCHEMBL3727338

SCHEMBL3727338

O=C(NNC(=O)ON1C(=O)CCC1=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
EPHX2 P34913 1/20 0.50
FABP7 O15540 2/20 0.41
FABP5 Q01469 2/20 0.41
MDM4 O15151 1/20 0.41
TP53 P04637 1/20 0.41
CASP3 P42574 2/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
OPRD1 P41143 1/20 0.39

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
SCHEMBL30242843 1.00 KMT2A (0.60) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL5384122 0.88 KMT2A (0.56) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL1686806 0.87 EPHX2 (0.56) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL31309889 0.87 KMT2A (0.50) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL10661146 0.87 KMT2A (0.50) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL29400248 0.87 KMT2A (0.50) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL31603929 0.85 KMT2A (0.56) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL13137482 0.85 KMT2A (0.51) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL30905361 0.85 KMT2A (0.56) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL15692103 0.85 KMT2A (0.56) KMT2AEPHX2FABP7FABP5MDM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137502-A2 PNU ANTHRACYCLINE-DERIVED LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 WO disclosed
US-20100311946-A1 Solid Phase Peptide for the Production of Goserelin MALLINCKRODT INC. (US) 2010-12-09 US disclosed
WO-2010141276-A1 SOLID PHASE PEPTIDE SYNTHESIS PROCESS FOR THE PRODUCTION OF GOSERELIN MALLINCKRODT INC. (US) 2010-12-09 WO disclosed
WO-2010141276-A1 SOLID PHASE PEPTIDE SYNTHESIS PROCESS FOR THE PRODUCTION OF GOSERELIN MALLINCKRODT INC. (US) 2010-12-09 WO disclosed
EP-0518655-B1 Solid phase peptide synthesis ZENECA LTD (GB) 1997-09-10 EP 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-20100311946-A1 Solid Phase Peptide for the Production of Goserelin GCG, GNRHR, GIPR KMT2A 790/4885EPHX2 4154/4885FABP7 2480/4885

“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.