SCHEMBL4088677

SCHEMBL4088677

Nc1cccc(NC(=O)C2CCC2)c1Cl

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.66
HDAC1 Q13547 5/20 0.66
HDAC2 Q92769 5/20 0.66
ALDH1A1 P00352 3/20 0.52
CETP P11597 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PLAU P00749 1/20 0.48
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL4083428 0.94 HDAC1 (0.60) HDAC3HDAC1HDAC2ALDH1A1CETP
SCHEMBL12819959 0.81 MEN1 (0.62) HDAC3HDAC1HDAC2ALDH1A1CETP
SCHEMBL13642228 0.81 HDAC1 (0.60) HDAC3HDAC1HDAC2ALDH1A1CETP
SCHEMBL4223097 0.80 HDAC1 (1.00) HDAC3HDAC1HDAC2ALDH1A1CETP
SCHEMBL27294525 0.79 KMT2A (0.72) ALDH1A1MEN1KMT2APLAUHPGD
SCHEMBL3335404 0.77 HDAC1 (0.84) HDAC3HDAC1HDAC2ALDH1A1CETP
SCHEMBL3118143 0.74 ALDH1A1 (0.48) HDAC3HDAC1HDAC2ALDH1A1MEN1
SCHEMBL28256535 0.73 CETP (0.77) HDAC3HDAC1HDAC2ALDH1A1CETP
SCHEMBL28258088 0.73 CETP (0.77) HDAC3HDAC1HDAC2ALDH1A1CETP
SCHEMBL12323604 0.73 CETP (0.77) HDAC3HDAC1HDAC2ALDH1A1CETP

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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 HDAC3 1012/4885HDAC1 1549/4885HDAC2 2038/4885

“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.