SCHEMBL13304575

SCHEMBL13304575

O=C(NO)c1cnc(N2CCC(CN3CCN(c4ccc(-c5ccccc5)cc4)C3=O)CC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.44
HDAC3 O15379 2/20 0.44
HDAC2 Q92769 2/20 0.44
CKS1B P61024 5/20 0.40
SKP1 P63208 5/20 0.40
SKP2 Q13309 5/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL8244732 0.84 HDAC6 (0.57) HDAC1HDAC3HDAC2HDAC6
SCHEMBL13304573 0.74 HDAC6 (0.52) HDAC1HDAC3HDAC2HDAC6
SCHEMBL13304558 0.66 HDAC6 (0.60) HDAC1HDAC3HDAC2HDAC6
SCHEMBL13304564 0.65 HDAC6 (0.54) HDAC1HDAC3HDAC2HDAC6
SCHEMBL13304478 0.65 HDAC6 (0.56) HDAC1HDAC3HDAC2HDAC6
SCHEMBL13304603 0.64 HDAC6 (0.53) HDAC1HDAC3HDAC2HDAC6
SCHEMBL27402514 0.64 SLC6A2 (0.44)
SCHEMBL31662528 0.64 DRD2 (0.50) HDAC1
SCHEMBL1728812 0.63 CKS1B (0.56) CKS1BSKP1SKP2
SCHEMBL19759609 0.62 ROCK2 (0.60)

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 HDAC1 1/4885HDAC3 3/4885HDAC2 2/4885

“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.