SCHEMBL13000348

SCHEMBL13000348

CCc1ncc(C(=O)NCCC(=O)O)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ HDAC6 Q9UBN7 5/20 0.39
▸ GCK P35557 1/20 0.39
▸ SNCA P37840 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ITGB3 P05106 3/20 0.38
▸ ITGA2B P08514 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HDAC3 O15379 4/20 0.37
▸ HDAC4 P56524 4/20 0.37
▸ HDAC1 Q13547 4/20 0.37
▸ HDAC7 Q8WUI4 4/20 0.37
▸ HDAC2 Q92769 4/20 0.37
▸ HDAC10 Q969S8 4/20 0.37
▸ HDAC11 Q96DB2 4/20 0.37
▸ HDAC8 Q9BY41 4/20 0.37
▸ HDAC9 Q9UKV0 4/20 0.37
▸ HDAC5 Q9UQL6 4/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.36

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
SCHEMBL12999593 0.83 CYP1A2 (0.43) KMT2AHDAC6SNCAMEN1KDM4E
SCHEMBL24415617 0.79 HDAC6 (0.51) KMT2AHDAC6NPSR1MEN1KDM4E
SCHEMBL1912545 0.76 HCAR2 (0.57) KMT2AHDAC6NPSR1MEN1KDM4E
SCHEMBL24415610 0.74 RAB9A (0.39) KMT2AHDAC6NPSR1MEN1KDM4E
SCHEMBL12313820 0.73 RAB9A (0.56) KMT2ANPSR1KDM4ELMNAL3MBTL1
SCHEMBL18588873 0.72 ALDH1A1 (0.44) KMT2AHDAC6NPSR1MEN1KDM4E
SCHEMBL11730112 0.71 NPSR1 (0.41) KMT2AHDAC6NPSR1MEN1KDM4E
SCHEMBL3456429 0.71 SIRT2 (0.38) KMT2AHDAC6NPSR1MEN1KDM4E
SCHEMBL19710005 0.70 SMYD3 (0.62) —
SCHEMBL21489959 0.70 SMYD3 (0.62) —

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-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors NOVARTIS AG (CH) 2010-12-02 — — 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-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors MME, AGTR1, REN KMT2A 3245/4885HDAC6 1170/4885GCK 4364/4885

“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.

Send feedback