SCHEMBL13304514

SCHEMBL13304514

O=C(NOC1CCCCO1)c1cnc(N2CCC(Cn3ccn(-c4ccc(F)cc4)c3=O)CC2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.39
KDM1A O60341 7/20 0.39
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35
DEGS1 O15121 1/20 0.34
HDAC1 Q13547 3/20 0.33
P2RX3 P56373 1/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL13304507 0.91 HDAC6 (0.40) HDAC6KDM1AHDAC1P2RX3HDAC3
SCHEMBL13304502 0.90 HDAC6 (0.38) HDAC6KDM1AHDAC1P2RX3HDAC3
SCHEMBL13304561 0.83 HDAC6 (0.55) HDAC6KDM1AHDAC1HDAC3HDAC4
SCHEMBL13304521 0.81 HDAC6 (0.40) HDAC6HDAC1P2RX3HDAC3HDAC4
SCHEMBL13304511 0.80 HDAC6 (0.42) HDAC6KDM1AHTR2ADEGS1
SCHEMBL9883406 0.78 GSTP1 (0.38) HDAC6KDM1AHDAC1P2RX3HDAC3
SCHEMBL15341335 0.77 KDM1A (0.39) HDAC6KDM1AHDAC1HDAC3HDAC4
SCHEMBL13304510 0.77 OGA (0.40) HDAC6KDM1ADEGS1ALDH1A1
SCHEMBL13304545 0.76 HDAC6 (0.38) HDAC6HDAC1P2RX3HDAC3HDAC4
SCHEMBL8270040 0.75 HDAC6 (0.41) HDAC6KDM1AHDAC1HDAC3HDAC4

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-20100160321-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 US disclosed
US-20100160321-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 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-20100160321-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC3 HDAC6 11/4885KDM1A 27/4885HTR2A 2508/4885

“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.