SCHEMBL7564589

SCHEMBL7564589

CC(=O)N(c1ccccc1)[C@@H](CC(C)C)C(=O)NCCCNS(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ ALOX15 P16050 2/20 0.45
▸ PPARG P37231 1/20 0.45
▸ QPCT Q16769 1/20 0.43
▸ HTR6 P50406 2/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ SLC40A1 Q9NP59 1/20 0.42
▸ HTR7 P34969 3/20 0.42
▸ TSHR P16473 1/20 0.41
▸ ADAM17 P78536 2/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GAA P10253 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
SCHEMBL7169622 0.88 CTSK (0.45) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
SCHEMBL7241696 0.82 CTSK (0.41) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
SCHEMBL7163876 0.74 HTR6 (0.43) KMT2AALDH1A1POLBALOX15PPARG
SCHEMBL7167328 0.71 CTSK (0.56) KMT2AMEN1SMN1; SMN2POLBPPARG
SCHEMBL14313616 0.69 ALOX15 (0.74) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
SCHEMBL5099014 0.68 NTSR1 (0.58) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
SCHEMBL5098994 0.68 NTSR1 (0.58) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
SCHEMBL3137759 0.68 PPARG (0.63) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
SCHEMBL9239543 0.68 ALOX15 (0.71) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
SCHEMBL18019186 0.68 LARS1 (0.55) ALDH1A1POLBPPARGSLC40A1ADAM17

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-20020077455-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-06-20 — — 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-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG KMT2A 2970/4885ALDH1A1 3948/4885KDM4E 2197/4885

“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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