SCHEMBL4083428

SCHEMBL4083428

Nc1cccc(NC(=O)C2CC2)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.60
HDAC2 Q92769 3/20 0.60
HDAC3 O15379 2/20 0.60
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
PLAU P00749 1/20 0.54
HPGD P15428 1/20 0.53
PKM P14618 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.47
GAA P10253 1/20 0.47
CASP3 P42574 1/20 0.46
CETP P11597 1/20 0.45
LMNA P02545 2/20 0.45
RAB9A P51151 1/20 0.45
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4088677 0.94 HDAC3 (0.66) HDAC1HDAC2HDAC3KMT2AMEN1
SCHEMBL27294525 0.85 KMT2A (0.72) KMT2AMEN1PLAUHPGDPKM
SCHEMBL3335404 0.83 HDAC1 (0.84) HDAC1HDAC2HDAC3KMT2AMEN1
SCHEMBL28592805 0.78 CYP2C19 (0.64) HDAC1HDAC2HDAC3KMT2AMEN1
SCHEMBL12819959 0.77 MEN1 (0.62) HDAC1HDAC2HDAC3KMT2AMEN1
SCHEMBL13642228 0.77 HDAC1 (0.60) HDAC1HDAC2HDAC3KMT2AHPGD
SCHEMBL3118143 0.76 ALDH1A1 (0.48) HDAC1HDAC2HDAC3KMT2AMEN1
SCHEMBL4223097 0.75 HDAC1 (1.00) HDAC1HDAC2HDAC3HPGDALDH1A1
SCHEMBL3334201 0.74 HDAC1 (0.67) HDAC1HDAC2HDAC3KMT2ARAB9A
SCHEMBL4094232 0.72 HDAC1 (0.72) HDAC1HDAC2HDAC3KMT2AMEN1

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 HDAC1 1549/4885HDAC2 2038/4885HDAC3 1012/4885

“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.