SCHEMBL6079754

SCHEMBL6079754

COC(=O)c1cc(CCCCCO)c2cccc(OCc3ccccc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.44
HDAC4 P56524 4/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC7 Q8WUI4 4/20 0.44
HDAC2 Q92769 4/20 0.44
HDAC10 Q969S8 4/20 0.44
HDAC11 Q96DB2 4/20 0.44
HDAC8 Q9BY41 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC9 Q9UKV0 4/20 0.44
HDAC5 Q9UQL6 4/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
MTNR1A P48039 3/20 0.40
MTNR1B P49286 1/20 0.40
PPIA P62937 1/20 0.39
NOTUM Q6P988 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL6079710 0.92 MTNR1A (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6599193 0.91 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6080597 0.89 ADORA3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6080881 0.85 MTNR1B (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6607104 0.84 PTGER1 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6080221 0.83 MTNR1A (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6079823 0.81 LMNA (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6080000 0.80 NOTUM (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6590566 0.79 MRGPRX4 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16106572 0.77 PLAU (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL HDAC3 2114/4885HDAC4 2635/4885HDAC1 3094/4885

“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.