SCHEMBL13304543

SCHEMBL13304543

COC(=O)c1cnc(N2CCC(Cn3ccn(CCc4c(C)[nH]c5ccccc45)c3=O)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 1/20 0.46
HDAC6 Q9UBN7 5/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 6/20 0.38
KCNH2 Q12809 2/20 0.38
HDAC3 O15379 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
NCOR2 Q9Y618 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38

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
SCHEMBL13304544 0.91 ALDH1A1 (0.42) GRIN2CHDAC6ALDH1A1KDM4EHTT
SCHEMBL13304480 0.91 HDAC6 (0.52) HDAC6HDAC1KCNH2HDAC3HDAC2
SCHEMBL13304545 0.84 HDAC6 (0.38) GRIN2CHDAC6ALDH1A1KDM4EHTT
SCHEMBL9883618 0.77 ALOX15 (0.43) HDAC6ALDH1A1KDM4EHTTMEN1
SCHEMBL8239496 0.76 HTT (0.46) GRIN2CALDH1A1KDM4EHTTMEN1
SCHEMBL9883619 0.75 HDAC1 (0.45) HDAC6ALDH1A1KDM4EHTTMEN1
SCHEMBL9883543 0.74 SMN1; SMN2 (0.47) GRIN2CHDAC6ALDH1A1KDM4EHTT
SCHEMBL13304541 0.74 PABPC1 (0.39) GRIN2CALDH1A1KDM4EHTTMEN1
SCHEMBL9883684 0.73 HDAC6 (0.56) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL9883544 0.72 LMNA (0.50) HDAC6ALDH1A1KDM4EHTTMEN1

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 GRIN2C 1361/4885HDAC6 11/4885ALDH1A1 572/4885

“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.