SCHEMBL13239157

SCHEMBL13239157

O=C(O)c1cccc2cc(CO)nn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
GRN P28799 4/20 0.35
SORT1 Q99523 4/20 0.35
HTR4 Q13639 1/20 0.35
NOTUM Q6P988 4/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
P2RX7 Q99572 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGS2 P35354 1/20 0.33
KLKB1 P03952 1/20 0.32

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
SCHEMBL13218436 0.78 GRN (0.36) GRNSORT1HTR4
SCHEMBL13239162 0.76 CXCR2 (0.34) NOTUMCA1CA2CA9P2RX7
SCHEMBL4233345 0.76 CXCR2 (0.37) NOTUMCA1CA2CA9P2RX7
SCHEMBL13239154 0.75 FYN (0.32) NOTUMCA1CA2CA9
SCHEMBL22577770 0.70 HTR4 (0.38) HTR4GAA
SCHEMBL10254093 0.68 HTR2A (0.41) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL16824241 0.67 HDAC4 (0.39) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL259378 0.66 DRD2 (0.48) ALDH1A1
SCHEMBL8508457 0.66 GRN (0.55) GRNSORT1NOTUMCA1CA2
SCHEMBL13850899 0.64 MYC (0.42) NOTUMALDH1A1KLKB1

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-20100216763-A1 Heteroaryl Amide Derivatives H. LUNDBECK A/S (DK) 2010-08-26 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-20100216763-A1 Heteroaryl Amide Derivatives HCAR2, PIGS, GPR52 HDAC4 989/4885HDAC1 216/4885HDAC7 604/4885

“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.