SCHEMBL13304545

SCHEMBL13304545

Cc1[nH]c2ccccc2c1CCn1ccn(CC2CCN(c3ncc(C(=O)NOC4CCCCO4)cn3)CC2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.38
HDAC1 Q13547 6/20 0.36
PDE5A O76074 1/20 0.36
HDAC3 O15379 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
NCOR2 Q9Y618 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
DGAT2 Q96PD7 4/20 0.35
KCNH2 Q12809 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9883620 0.86 HDAC1 (0.41) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL13304480 0.85 HDAC6 (0.52) HDAC6HDAC1PDE5AHDAC3HDAC2
SCHEMBL9883545 0.85 LMNA (0.45) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL8271869 0.85 HDAC6 (0.45) HDAC6HDAC1PDE5AHDAC3HDAC2
SCHEMBL13304543 0.84 GRIN2C (0.46) HDAC6HDAC1PDE5AHDAC3HDAC2
SCHEMBL13304544 0.83 ALDH1A1 (0.42) HDAC6HDAC1PDE5AHDAC3HDAC2
SCHEMBL13304507 0.78 HDAC6 (0.40) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL13304502 0.77 HDAC6 (0.38) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL13304514 0.76 HDAC6 (0.39) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL12341277 0.74 HDAC6 (0.47) HDAC6HDAC1LMNASMN1; SMN2P2RX3

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 11/4885HDAC1 1/4885PDE5A 1208/4885

“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.