SCHEMBL20148198

SCHEMBL20148198

CCCON1CCN(c2ncc(C(N)=O)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KIT P10721 1/20 0.36
MAPT P10636 1/20 0.36
HDAC6 Q9UBN7 3/20 0.36
PARP1 P09874 3/20 0.36
HRH3 Q9Y5N1 4/20 0.36
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35

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
SCHEMBL20148197 0.83 OPRM1 (0.49) KMT2ANPC1RAB9APARP1HRH3
SCHEMBL20148209 0.79 NPC1 (0.40) HDAC3HDAC1HDAC2HDAC8MEN1
SCHEMBL4456976 0.79 PTPN11 (0.48) HDAC3HDAC1HDAC2HDAC8MEN1
SCHEMBL20148201 0.77 HRH3 (0.47) HDAC3PARP1HRH3AOC3
SCHEMBL28373607 0.76 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8POLB
SCHEMBL20148200 0.76 POLB (0.41) HDAC3HDAC1HDAC2HDAC8POLB
SCHEMBL20917117 0.74 POLB (0.50) HDAC3HDAC1HDAC2HDAC8POLB
SCHEMBL4790004 0.73 POLB (0.49) POLBNPC1KDM4EMAPTHDAC6
SCHEMBL4455470 0.73 HRH3 (0.52) HDAC3HDAC1HDAC2HDAC8POLB
Formic Acid SCHEMBL30422755 0.71 HDAC3 (0.51) HDAC3HDAC1HDAC2HDAC8POLB

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-20180134688-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-05-17 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-20180134688-A1 NOVEL COMPOUNDS RIPK2, RIPK1, RIPK4 HDAC3 811/4885HDAC1 871/4885HDAC2 612/4885

“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.