SCHEMBL13304541

SCHEMBL13304541

CCOC(CN(CC1CCN(c2ncc(C(=O)OC)cn2)CC1)C(=O)NCCc1c(C)[nH]c2ccccc12)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.39
ALOX15 P16050 1/20 0.39
ATM Q13315 2/20 0.38
MAPT P10636 5/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRIN2C Q14957 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
ALOX12 P18054 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC3 O15379 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
SCHEMBL9883618 0.78 ALOX15 (0.43) PABPC1ALOX15ATMMAPTTDP1
SCHEMBL9883543 0.75 SMN1; SMN2 (0.47) PABPC1ALOX15ATMMAPTTDP1
SCHEMBL13304543 0.74 GRIN2C (0.46) ALOX15ATMMAPTGRIN2CMEN1
SCHEMBL9883619 0.73 HDAC1 (0.45) PABPC1ALOX15ATMMAPTTDP1
SCHEMBL9883684 0.71 HDAC6 (0.56) ATMHDAC3HDAC1HDAC2
SCHEMBL13304522 0.71 P2RY12 (0.46) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL9883544 0.70 LMNA (0.50) PABPC1ALOX15ATMMAPTTDP1
SCHEMBL9883646 0.69 HDAC6 (0.50) PABPC1ALOX15ATMMAPTTDP1
SCHEMBL13304503 0.69 P2RY12 (0.41) MAPTHTTACHEKDM4EALDH1A1
SCHEMBL13304499 0.68 HTT (0.45) MAPTMEN1KMT2AHTTLMNA

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-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 PABPC1 4034/4885ALOX15 4811/4885ATM 1339/4885

“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.