SCHEMBL5631609

SCHEMBL5631609

COC(=O)C(N)CNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.54
▸ EPHX2 P34913 1/20 0.48
▸ CASP3 P42574 2/20 0.46
▸ BMP1 P13497 1/20 0.45
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ FABP5 Q01469 2/20 0.43
▸ TLR2 O60603 1/20 0.42
▸ FABP7 O15540 1/20 0.41

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
SCHEMBL5629775 1.00 KMT2A (0.54) KMT2AEPHX2CASP3BMP1CA1
Hydrochloric Acid SCHEMBL5629777 0.99 KMT2A (0.53) KMT2AEPHX2CASP3BMP1CA1
Hydrochloric Acid SCHEMBL5629771 0.99 KMT2A (0.53) KMT2AEPHX2CASP3BMP1CA1
SCHEMBL26857893 0.90 KMT2A (0.54) KMT2AEPHX2CASP3BMP1FABP5
SCHEMBL3871611 0.88 KMT2A (0.57) KMT2AEPHX2CASP3BMP1FABP5
SCHEMBL16623132 0.88 KMT2A (0.55) KMT2AEPHX2CASP3BMP1CA1
SCHEMBL31041102 0.88 KMT2A (0.57) KMT2AEPHX2CASP3BMP1FABP5
SCHEMBL8170342 0.88 KMT2A (0.57) KMT2AEPHX2CASP3BMP1FABP5
SCHEMBL25444783 0.88 KMT2A (0.50) KMT2AEPHX2CASP3BMP1
SCHEMBL17106632 0.88 KMT2A (0.50) KMT2AEPHX2CASP3BMP1

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-20070185128-A1 Compounds and compositions for treating obesity NOVO NORDISK A/S (DK) 2007-08-09 — — 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-20070185128-A1 Compounds and compositions for treating obesity MC4R, MC5R, MC3R KMT2A 2554/4885EPHX2 2194/4885CASP3 4080/4885

“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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